N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C27H27N5O — CID 56533831

IUPACN-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(NCC2CCCC2)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C27H27N5O/c33-27(30-23-14-12-22(13-15-23)29-17-20-7-4-5-8-20)25-19-32(24-10-2-1-3-11-24)31-26(25)21-9-6-16-28-18-21/h1-3,6,9-16,18-20,29H,4-5,7-8,17H2,(H,30,33)
InChIKeyOTNIGBVVOVLOSN-UHFFFAOYSA-N
MW437.55 g/mol
LogP5.79
Rot. Bonds7

About N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 56533831) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID56533831
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC NameN-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(NCC2CCCC2)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C27H27N5O/c33-27(30-23-14-12-22(13-15-23)29-17-20-7-4-5-8-20)25-19-32(24-10-2-1-3-11-24)31-26(25)21-9-6-16-28-18-21/h1-3,6,9-16,18-20,29H,4-5,7-8,17H2,(H,30,33)
InChIKeyOTNIGBVVOVLOSN-UHFFFAOYSA-N
XLogP5.79
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.55
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
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N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455
N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 42014114
1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55969423
1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride
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N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
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ethyl (E)-3-[4-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]phenyl]prop-2-enoate
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N-(2-oxoazepan-3-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 71892750
N-[(3S)-2-oxoazepan-3-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 94133021
1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 55804567
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 4963802

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 56533831) is N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is O=C(Nc1ccc(NCC2CCCC2)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is OTNIGBVVOVLOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c33-27(30-23-14-12-22(13-15-23)29-17-20-7-4-5-8-20)25-19-32(24-10-2-1-3-11-24)31-26(25)21-9-6-16-28-18-21/h1-3,6,9-16,18-20,29H,4-5,7-8,17H2,(H,30,33).
What are the key properties of N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 437.55 g/mol, XLogP of 5.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 56533831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).