4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide

C19H21N5O — CID 138026685

IUPAC4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide
SMILESO=C(Nc1ccnc2ccnn12)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C19H21N5O/c25-19(22-18-8-11-20-17-9-12-21-24(17)18)23-13-4-7-16(10-14-23)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,16H,4,7,10,13-14H2,(H,22,25)
InChIKeyQUJYPSZXDFJGAC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.53
Rot. Bonds2

About 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide

4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide (PubChem CID 138026685) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide
PubChem CID138026685
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide
SMILESO=C(Nc1ccnc2ccnn12)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C19H21N5O/c25-19(22-18-8-11-20-17-9-12-21-24(17)18)23-13-4-7-16(10-14-23)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,16H,4,7,10,13-14H2,(H,22,25)
InChIKeyQUJYPSZXDFJGAC-UHFFFAOYSA-N
XLogP3.53
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-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

1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide
CID 56573678
(2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 124606712
4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 51119005
(4S)-N-(2-imidazol-1-ylethyl)-4-phenylazepane-1-carboxamide
CID 95186692
(4S)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-phenylazepane-1-carboxamide
CID 94169260
3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
CID 118790711
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
(1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone
CID 119770810
[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 97015112
[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 97015113
[5-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 97015114
methyl 6-[(4R)-4-phenylazepane-1-carbonyl]pyridine-2-carboxylate
CID 95174970

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide?
The IUPAC name of 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide (CID 138026685) is 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide.
What is the SMILES notation for 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide?
The canonical SMILES for 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide is O=C(Nc1ccnc2ccnn12)N1CCCC(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide?
The InChIKey is QUJYPSZXDFJGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(22-18-8-11-20-17-9-12-21-24(17)18)23-13-4-7-16(10-14-23)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,16H,4,7,10,13-14H2,(H,22,25).
What are the key properties of 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide?
4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide is sourced from PubChem (CID 138026685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).