N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide

C23H24N4O — CID 71260518

IUPACN-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CC2NCC2CC2)cc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H24N4O/c28-23(18-14-25-27(15-18)20-4-2-1-3-5-20)26-19-10-8-17(9-11-19)21-12-22(21)24-13-16-6-7-16/h1-5,8-11,14-16,21-22,24H,6-7,12-13H2,(H,26,28)
InChIKeyQLWWMUQTSBVKJC-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.98
Rot. Bonds7

About N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide

N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 71260518) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID71260518
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CC2NCC2CC2)cc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H24N4O/c28-23(18-14-25-27(15-18)20-4-2-1-3-5-20)26-19-10-8-17(9-11-19)21-12-22(21)24-13-16-6-7-16/h1-5,8-11,14-16,21-22,24H,6-7,12-13H2,(H,26,28)
InChIKeyQLWWMUQTSBVKJC-UHFFFAOYSA-N
XLogP3.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
1-butyl-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]pyrazole-4-carboxamide;hydrochloride
CID 174723371
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
CID 118304398
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyrimidin-2-ylbenzamide
CID 90214109
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyridin-4-ylbenzamide
CID 90214031
4-tert-butyl-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214029
4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214032
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylmethoxybenzamide;hydrochloride
CID 90214183
4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride
CID 90213944

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide (CID 71260518) is N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide is O=C(Nc1ccc(C2CC2NCC2CC2)cc1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is QLWWMUQTSBVKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23(18-14-25-27(15-18)20-4-2-1-3-5-20)26-19-10-8-17(9-11-19)21-12-22(21)24-13-16-6-7-16/h1-5,8-11,14-16,21-22,24H,6-7,12-13H2,(H,26,28).
What are the key properties of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide?
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 71260518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).