[(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid

C26H25N5O3 — CID 138473592

IUPAC[(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid
SMILESN#Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](NC(=O)O)C3)nn2-c2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C26H25N5O3/c27-15-17-3-5-20(6-4-17)24-14-23(25(32)30-13-1-2-21(16-30)28-26(33)34)29-31(24)22-11-9-19(10-12-22)18-7-8-18/h3-6,9-12,14,18,21,28H,1-2,7-8,13,16H2,(H,33,34)/t21-/m1/s1
InChIKeyZTMYIZJTCYCJGY-OAQYLSRUSA-N
MW455.52 g/mol
LogP4.16
Rot. Bonds5

About [(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid

[(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid (PubChem CID 138473592) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is [(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid
PubChem CID138473592
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name[(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid
SMILESN#Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](NC(=O)O)C3)nn2-c2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C26H25N5O3/c27-15-17-3-5-20(6-4-17)24-14-23(25(32)30-13-1-2-21(16-30)28-26(33)34)29-31(24)22-11-9-19(10-12-22)18-7-8-18/h3-6,9-12,14,18,21,28H,1-2,7-8,13,16H2,(H,33,34)/t21-/m1/s1
InChIKeyZTMYIZJTCYCJGY-OAQYLSRUSA-N
XLogP4.16
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(methylamino)piperidine-1-carbonyl]pyrazol-5-yl]benzonitrile
CID 175014437
4-[3-[(3R)-3-(dimethylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrazol-5-yl]benzonitrile
CID 142544570
4-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(4-methylphenyl)pyrazol-5-yl]benzonitrile
CID 138473561
4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile
CID 175014991
4-[3-[(3R)-3-aminopiperidine-1-carbonyl]-1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrazol-5-yl]benzonitrile
CID 142544607
tert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 142751380
4-[3-(3-aminopiperidine-1-carbonyl)-1-(4-cyclopropyl-2-fluorophenyl)pyrazol-5-yl]-2-fluorobenzonitrile
CID 155483792
methyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate
CID 118142192
5-(4-cyanophenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid
CID 118735618
4-[1-[4-[(3S)-3-chloropyrrolidin-1-yl]-2,6-difluorophenyl]-3-[(3R)-3-(methylamino)piperidine-1-carbonyl]pyrazol-5-yl]-2-fluorobenzonitrile
CID 155762390
(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride
CID 119378655
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
CID 62534463

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid (CID 138473592) is [(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid is N#Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](NC(=O)O)C3)nn2-c2ccc(C3CC3)cc2)cc1.
What is the InChIKey of [(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid?
The InChIKey is ZTMYIZJTCYCJGY-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H25N5O3/c27-15-17-3-5-20(6-4-17)24-14-23(25(32)30-13-1-2-21(16-30)28-26(33)34)29-31(24)22-11-9-19(10-12-22)18-7-8-18/h3-6,9-12,14,18,21,28H,1-2,7-8,13,16H2,(H,33,34)/t21-/m1/s1.
What are the key properties of [(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid?
[(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid has a molecular weight of 455.52 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid is sourced from PubChem (CID 138473592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).