tert-butyl 4-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate

C24H32N4O3 — CID 45106674

IUPACtert-butyl 4-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCCC3)cnn2-c2ccccc2)CC1
InChIInChI=1S/C24H32N4O3/c1-24(2,3)31-23(30)27-15-11-18(12-16-27)21-20(22(29)26-13-7-8-14-26)17-25-28(21)19-9-5-4-6-10-19/h4-6,9-10,17-18H,7-8,11-16H2,1-3H3
InChIKeyFVVDLWWDPZYHLM-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.22
Rot. Bonds3

About tert-butyl 4-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate

tert-butyl 4-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate (PubChem CID 45106674) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is tert-butyl 4-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate
PubChem CID45106674
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Nametert-butyl 4-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCCC3)cnn2-c2ccccc2)CC1
InChIInChI=1S/C24H32N4O3/c1-24(2,3)31-23(30)27-15-11-18(12-16-27)21-20(22(29)26-13-7-8-14-26)17-25-28(21)19-9-5-4-6-10-19/h4-6,9-10,17-18H,7-8,11-16H2,1-3H3
InChIKeyFVVDLWWDPZYHLM-UHFFFAOYSA-N
XLogP4.22
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 4-[1-(2,4-difluorophenyl)-4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 16023974
Tert-butyl 4-[4-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propylcarbamoyl]-1-phenylpyrazol-5-yl]piperidine-1-carboxylate
CID 16024016
N,5-dimethyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850677
5-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid
CID 3245523
tert-butyl 4-[4-({[3-(4-methylpiperazino)propyl]amino}carbonyl)-1-phenyl-1H-pyrazol-5-yl]tetrahydro-1(2H)-pyridinecarboxylate
CID 16024218
4-[1-phenyl-4-(1-piperidinylcarbonyl)-1H-pyrazol-3-yl]pyridine
CID 976901
(1,3-Diphenylpyrazol-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 8107007
Tert-butyl 4-[1-(3,4-dimethylphenyl)-4-[(2,4-dimethylphenyl)carbamoyl]-1H-pyrazol-5-YL]piperidine-1-carboxylate
CID 16009013
Tert-butyl 4-[1-tert-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 16023765
Tert-butyl 4-[4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 16023797
Tert-butyl 4-[1-(3-chlorophenyl)-4-(3-phenylpyrrolidine-1-carbonyl)-1H-pyrazol-5-YL]piperidine-1-carboxylate
CID 16023811
Tert-butyl 4-[4-(cyclohexylcarbamoyl)-1-(4-methylphenyl)-1H-pyrazol-5-YL]piperidine-1-carboxylate
CID 16023907

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate (CID 45106674) is tert-butyl 4-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCCC3)cnn2-c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate?
The InChIKey is FVVDLWWDPZYHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-24(2,3)31-23(30)27-15-11-18(12-16-27)21-20(22(29)26-13-7-8-14-26)17-25-28(21)19-9-5-4-6-10-19/h4-6,9-10,17-18H,7-8,11-16H2,1-3H3.
What are the key properties of tert-butyl 4-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate has a molecular weight of 424.55 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 45106674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).