N-[1-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-[4-(trifluoromethyl)phenyl]butanamide

C27H33F3N6O2 — CID 171681199

IUPACN-[1-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(C)(C)c1cc(C(=O)N2CCC(n3cc(NC(=O)CCCc4ccc(C(F)(F)F)cc4)cn3)CC2)n[nH]1
InChIInChI=1S/C27H33F3N6O2/c1-26(2,3)23-15-22(33-34-23)25(38)35-13-11-21(12-14-35)36-17-20(16-31-36)32-24(37)6-4-5-18-7-9-19(10-8-18)27(28,29)30/h7-10,15-17,21H,4-6,11-14H2,1-3H3,(H,32,37)(H,33,34)
InChIKeyVWZKXLPJFPZIMV-UHFFFAOYSA-N
MW530.60 g/mol
LogP5.36
Rot. Bonds7

About N-[1-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-[4-(trifluoromethyl)phenyl]butanamide

N-[1-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 171681199) has the molecular formula C27H33F3N6O2 and a molecular weight of 530.60 g/mol. Its IUPAC name is N-[1-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[1-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID171681199
Molecular FormulaC27H33F3N6O2
Molecular Weight530.60 g/mol
Exact Mass530.26
IUPAC NameN-[1-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(C)(C)c1cc(C(=O)N2CCC(n3cc(NC(=O)CCCc4ccc(C(F)(F)F)cc4)cn3)CC2)n[nH]1
InChIInChI=1S/C27H33F3N6O2/c1-26(2,3)23-15-22(33-34-23)25(38)35-13-11-21(12-14-35)36-17-20(16-31-36)32-24(37)6-4-5-18-7-9-19(10-8-18)27(28,29)30/h7-10,15-17,21H,4-6,11-14H2,1-3H3,(H,32,37)(H,33,34)
InChIKeyVWZKXLPJFPZIMV-UHFFFAOYSA-N
XLogP5.36
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.60
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethylphenyl)sulfanyl-N-[1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]acetamide
CID 171685806
(5-tert-butyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110848778
N-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide
CID 171685269
[3-(aminomethyl)pyrrolidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
CID 119486615
[4-(3-aminopropoxy)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119664151
N-[1-[1-[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-[(4-fluorophenyl)methyl]phenyl]acetamide
CID 171683942
1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251846
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856017
4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide
CID 154663741
4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 86994233
(5-tert-butyl-1H-pyrazol-3-yl)-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126910926
(5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853153

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-[1-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-[4-(trifluoromethyl)phenyl]butanamide (CID 171681199) is N-[1-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-[1-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-[1-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-[4-(trifluoromethyl)phenyl]butanamide is CC(C)(C)c1cc(C(=O)N2CCC(n3cc(NC(=O)CCCc4ccc(C(F)(F)F)cc4)cn3)CC2)n[nH]1.
What is the InChIKey of N-[1-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is VWZKXLPJFPZIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F3N6O2/c1-26(2,3)23-15-22(33-34-23)25(38)35-13-11-21(12-14-35)36-17-20(16-31-36)32-24(37)6-4-5-18-7-9-19(10-8-18)27(28,29)30/h7-10,15-17,21H,4-6,11-14H2,1-3H3,(H,32,37)(H,33,34).
What are the key properties of N-[1-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-[4-(trifluoromethyl)phenyl]butanamide?
N-[1-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 530.60 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 171681199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).