4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]piperidine-1-carboxamide

C30H40F3N5O3 — CID 15947153

IUPAC4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]piperidine-1-carboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)N1CCC(n2ncc(C(=O)N3CC[C@@H](c4ccccc4C(F)(F)F)C3)c2C2CC2)CC1
InChIInChI=1S/C30H40F3N5O3/c1-19(2)15-22(18-39)35-29(41)36-13-10-23(11-14-36)38-27(20-7-8-20)25(16-34-38)28(40)37-12-9-21(17-37)24-5-3-4-6-26(24)30(31,32)33/h3-6,16,19-23,39H,7-15,17-18H2,1-2H3,(H,35,41)/t21-,22+/m1/s1
InChIKeyBDHRPYFETBIDEJ-YADHBBJMSA-N
MW575.68 g/mol
LogP5.16
Rot. Bonds8

About 4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]piperidine-1-carboxamide

4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]piperidine-1-carboxamide (PubChem CID 15947153) has the molecular formula C30H40F3N5O3 and a molecular weight of 575.68 g/mol. Its IUPAC name is 4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]piperidine-1-carboxamide
PubChem CID15947153
Molecular FormulaC30H40F3N5O3
Molecular Weight575.68 g/mol
Exact Mass575.31
IUPAC Name4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]piperidine-1-carboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)N1CCC(n2ncc(C(=O)N3CC[C@@H](c4ccccc4C(F)(F)F)C3)c2C2CC2)CC1
InChIInChI=1S/C30H40F3N5O3/c1-19(2)15-22(18-39)35-29(41)36-13-10-23(11-14-36)38-27(20-7-8-20)25(16-34-38)28(40)37-12-9-21(17-37)24-5-3-4-6-26(24)30(31,32)33/h3-6,16,19-23,39H,7-15,17-18H2,1-2H3,(H,35,41)/t21-,22+/m1/s1
InChIKeyBDHRPYFETBIDEJ-YADHBBJMSA-N
XLogP5.16
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.68
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxypropan-2-yl]piperidine-1-carboxamide
CID 15948364
2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]acetic acid
CID 58838376
[5-cyclopropyl-1-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 58838464
[5-cyclopropyl-1-[1-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-4-yl]pyrazol-4-yl]-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 15948707
2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methylpropanamide
CID 15948015
4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidine-1-carbothioamide;hydroiodide
CID 140546271
4-[4-[5-cyclopropyl-4-[3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 58838406
methyl 2-[[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidine-1-carbonyl]amino]benzoate
CID 67434969
2-piperidin-1-ylethyl 4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 15947369
4-[4-[5-cyclopropyl-4-[3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-3-fluorobenzoic acid
CID 58838374
[5-cyclopropyl-1-[1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]pyrazol-4-yl]-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 87399625
phenyl N-cyano-4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidine-1-carboximidate
CID 87399848

Frequently Asked Questions

What is the IUPAC name of 4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]piperidine-1-carboxamide (CID 15947153) is 4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]piperidine-1-carboxamide is CC(C)C[C@@H](CO)NC(=O)N1CCC(n2ncc(C(=O)N3CC[C@@H](c4ccccc4C(F)(F)F)C3)c2C2CC2)CC1.
What is the InChIKey of 4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]piperidine-1-carboxamide?
The InChIKey is BDHRPYFETBIDEJ-YADHBBJMSA-N. The full InChI is InChI=1S/C30H40F3N5O3/c1-19(2)15-22(18-39)35-29(41)36-13-10-23(11-14-36)38-27(20-7-8-20)25(16-34-38)28(40)37-12-9-21(17-37)24-5-3-4-6-26(24)30(31,32)33/h3-6,16,19-23,39H,7-15,17-18H2,1-2H3,(H,35,41)/t21-,22+/m1/s1.
What are the key properties of 4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]piperidine-1-carboxamide?
4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]piperidine-1-carboxamide has a molecular weight of 575.68 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 15947153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).