2-(3-chlorophenyl)-N-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide

C19H19ClN4O2 — CID 53165113

IUPAC2-(3-chlorophenyl)-N-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
SMILESO=C(NCc1ccco1)N1CCCn2nc(-c3cccc(Cl)c3)cc2C1
InChIInChI=1S/C19H19ClN4O2/c20-15-5-1-4-14(10-15)18-11-16-13-23(7-3-8-24(16)22-18)19(25)21-12-17-6-2-9-26-17/h1-2,4-6,9-11H,3,7-8,12-13H2,(H,21,25)
InChIKeyHKINCDHPRZHSDF-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.91
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide

2-(3-chlorophenyl)-N-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide (PubChem CID 53165113) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
PubChem CID53165113
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name2-(3-chlorophenyl)-N-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
SMILESO=C(NCc1ccco1)N1CCCn2nc(-c3cccc(Cl)c3)cc2C1
InChIInChI=1S/C19H19ClN4O2/c20-15-5-1-4-14(10-15)18-11-16-13-23(7-3-8-24(16)22-18)19(25)21-12-17-6-2-9-26-17/h1-2,4-6,9-11H,3,7-8,12-13H2,(H,21,25)
InChIKeyHKINCDHPRZHSDF-UHFFFAOYSA-N
XLogP3.91
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide (CID 53165113) is 2-(3-chlorophenyl)-N-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide is O=C(NCc1ccco1)N1CCCn2nc(-c3cccc(Cl)c3)cc2C1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The InChIKey is HKINCDHPRZHSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c20-15-5-1-4-14(10-15)18-11-16-13-23(7-3-8-24(16)22-18)19(25)21-12-17-6-2-9-26-17/h1-2,4-6,9-11H,3,7-8,12-13H2,(H,21,25).
What are the key properties of 2-(3-chlorophenyl)-N-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
2-(3-chlorophenyl)-N-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide is sourced from PubChem (CID 53165113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).