3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide

C16H15ClN6O2 — CID 91640308

IUPAC3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c(C2CCCO2)n1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C16H15ClN6O2/c17-10-5-3-9(4-6-10)11-8-12(21-20-11)15(24)19-16-18-14(22-23-16)13-2-1-7-25-13/h3-6,8,13H,1-2,7H2,(H,20,21)(H2,18,19,22,23,24)
InChIKeyIUNHMDPNSQCFJL-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.95
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 91640308) has the molecular formula C16H15ClN6O2 and a molecular weight of 358.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID91640308
Molecular FormulaC16H15ClN6O2
Molecular Weight358.79 g/mol
Exact Mass358.09
IUPAC Name3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c(C2CCCO2)n1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C16H15ClN6O2/c17-10-5-3-9(4-6-10)11-8-12(21-20-11)15(24)19-16-18-14(22-23-16)13-2-1-7-25-13/h3-6,8,13H,1-2,7H2,(H,20,21)(H2,18,19,22,23,24)
InChIKeyIUNHMDPNSQCFJL-UHFFFAOYSA-N
XLogP2.95
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(5-(tetrahydrofuran-2-yl)-1H-1,2,4-triazol-3-yl)benzamide
CID 71702424
N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97264761
N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 78878385
N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 56825423
1-methyl-3-phenyl-N-(5-(tetrahydrofuran-2-yl)-1H-1,2,4-triazol-3-yl)-1H-pyrazole-5-carboxamide
CID 71700837
5-(4-chlorophenyl)-N-(1H-1,2,4-triazol-3-yl)-1H-pyrazole-3-carboxamide
CID 71700965
3-(4-chlorophenyl)-1-methyl-N-[3-(2-methylpropyl)-1H-1,2,4-triazol-5-yl]-1H-pyrazole-5-carboxamide
CID 71703028
1H-Pyrazole-5-carboxamide, 3-(4-chlorophenyl)-1-methyl-N-[3-(1-methylethyl)-1H-1,2,4-triazol-5-yl]-
CID 71703625
3-isopropyl-1-phenyl-N-(5-(tetrahydrofuran-2-yl)-1H-1,2,4-triazol-3-yl)-1H-pyrazole-5-carboxamide
CID 71704189
3-(4-chlorophenyl)-N-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 71707041
5-phenyl-N-[5-(tetrahydrofuran-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-3-carboxamide
CID 71708501
3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 78878381

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide (CID 91640308) is 3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide is O=C(Nc1n[nH]c(C2CCCO2)n1)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is IUNHMDPNSQCFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O2/c17-10-5-3-9(4-6-10)11-8-12(21-20-11)15(24)19-16-18-14(22-23-16)13-2-1-7-25-13/h3-6,8,13H,1-2,7H2,(H,20,21)(H2,18,19,22,23,24).
What are the key properties of 3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91640308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).