N-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide

C18H18N6O2 — CID 131686422

IUPACN-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnn2c1CN(C(=O)c1ccn[nH]1)CCC2
InChIInChI=1S/C18H18N6O2/c25-17(21-13-5-2-1-3-6-13)14-11-20-24-10-4-9-23(12-16(14)24)18(26)15-7-8-19-22-15/h1-3,5-8,11H,4,9-10,12H2,(H,19,22)(H,21,25)
InChIKeyVNEROWXJMYYQGW-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.90
Rot. Bonds3

About N-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide

N-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide (PubChem CID 131686422) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
PubChem CID131686422
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnn2c1CN(C(=O)c1ccn[nH]1)CCC2
InChIInChI=1S/C18H18N6O2/c25-17(21-13-5-2-1-3-6-13)14-11-20-24-10-4-9-23(12-16(14)24)18(26)15-7-8-19-22-15/h1-3,5-8,11H,4,9-10,12H2,(H,19,22)(H,21,25)
InChIKeyVNEROWXJMYYQGW-UHFFFAOYSA-N
XLogP1.90
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-acetyl-1H-pyrazole-5-carbonyl)-N-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
CID 131696756
N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
N-(4-methoxyphenyl)-5-(4-methylthiophene-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
CID 131697416
N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691289
N-(3-fluorophenyl)-5-(1-methylindole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
CID 131696839
N-(3-fluorophenyl)-5-[4-(methoxymethyl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
CID 131696738
N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50978426
5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
CID 131697421
2-[4-(1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62823385
1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]methanone
CID 131696622
2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid
CID 120528669
5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
CID 155871066

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide?
The IUPAC name of N-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide (CID 131686422) is N-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide.
What is the SMILES notation for N-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide?
The canonical SMILES for N-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide is O=C(Nc1ccccc1)c1cnn2c1CN(C(=O)c1ccn[nH]1)CCC2.
What is the InChIKey of N-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide?
The InChIKey is VNEROWXJMYYQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-17(21-13-5-2-1-3-6-13)14-11-20-24-10-4-9-23(12-16(14)24)18(26)15-7-8-19-22-15/h1-3,5-8,11H,4,9-10,12H2,(H,19,22)(H,21,25).
What are the key properties of N-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide?
N-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide is sourced from PubChem (CID 131686422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).