N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C19H19N5O2 — CID 50978426

IUPACN-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2n(n1)CCCN(C(=O)c1ccc[nH]1)C2
InChIInChI=1S/C19H19N5O2/c25-18(21-14-6-2-1-3-7-14)17-12-15-13-23(10-5-11-24(15)22-17)19(26)16-8-4-9-20-16/h1-4,6-9,12,20H,5,10-11,13H2,(H,21,25)
InChIKeyGWRFYAVUMMBLSC-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.51
Rot. Bonds3

About N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 50978426) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID50978426
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2n(n1)CCCN(C(=O)c1ccc[nH]1)C2
InChIInChI=1S/C19H19N5O2/c25-18(21-14-6-2-1-3-7-14)17-12-15-13-23(10-5-11-24(15)22-17)19(26)16-8-4-9-20-16/h1-4,6-9,12,20H,5,10-11,13H2,(H,21,25)
InChIKeyGWRFYAVUMMBLSC-UHFFFAOYSA-N
XLogP2.51
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 50978426) is N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is O=C(Nc1ccccc1)c1cc2n(n1)CCCN(C(=O)c1ccc[nH]1)C2.
What is the InChIKey of N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is GWRFYAVUMMBLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-18(21-14-6-2-1-3-7-14)17-12-15-13-23(10-5-11-24(15)22-17)19(26)16-8-4-9-20-16/h1-4,6-9,12,20H,5,10-11,13H2,(H,21,25).
What are the key properties of N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 50978426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).