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

C19H23ClN4O2 — CID 53165114

IUPAC2-(3-chlorophenyl)-N-(oxolan-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/C19H23ClN4O2/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/h1,4-5,10-11,17H,2-3,6-9,12-13H2,(H,21,25)
InChIKeyYKUARLGCKAMWSB-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.30
Rot. Bonds3

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

2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide (PubChem CID 53165114) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
PubChem CID53165114
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name2-(3-chlorophenyl)-N-(oxolan-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/C19H23ClN4O2/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/h1,4-5,10-11,17H,2-3,6-9,12-13H2,(H,21,25)
InChIKeyYKUARLGCKAMWSB-UHFFFAOYSA-N
XLogP3.30
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(Oxolan-2-YL)methyl]-2-(pyridin-4-YL)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepine-5-carboxamide
CID 53165199
2-(4-Ethylphenyl)-N-(2-methoxyethyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepine-5-carboxamide
CID 53186353
N-(tetrahydrofuran-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide
CID 53186349
N'-{[5-(3-chloro-2-fluorobenzyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-N,N-dimethylurea
CID 70782418
N-{[5-(3-chloro-4-fluorobenzyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-2-methoxyacetamide
CID 72912671
N-{[5-(3-chloro-2-fluorobenzyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-2-methoxyacetamide
CID 72926552
N-[[(2S)-oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 95108142
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 95108143
N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 53165214
Tert-butyl 1-[2-(2-aminoethoxy)ethyl]-3-(4-chlorophenyl)-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carboxylate
CID 168073277
1-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-(tetrahydrofuran-2-ylmethyl)urea
CID 17183443
1-[1-[(3-Chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)thiourea
CID 19344574

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide (CID 53165114) is 2-(3-chlorophenyl)-N-(oxolan-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-(oxolan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(oxolan-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-(oxolan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The InChIKey is YKUARLGCKAMWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/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/h1,4-5,10-11,17H,2-3,6-9,12-13H2,(H,21,25).
What are the key properties of 2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
2-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 3.30, 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-(oxolan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide is sourced from PubChem (CID 53165114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).