1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide

C21H19ClN6O2 — CID 86906330

IUPAC1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESO=C(NCCc1nncn1C1CC1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H19ClN6O2/c22-14-3-5-16(6-4-14)28-18(19-2-1-11-30-19)12-17(26-28)21(29)23-10-9-20-25-24-13-27(20)15-7-8-15/h1-6,11-13,15H,7-10H2,(H,23,29)
InChIKeyUDVZEEYFFDJHCC-UHFFFAOYSA-N
MW422.88 g/mol
LogP3.68
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide

1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide (PubChem CID 86906330) has the molecular formula C21H19ClN6O2 and a molecular weight of 422.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
PubChem CID86906330
Molecular FormulaC21H19ClN6O2
Molecular Weight422.88 g/mol
Exact Mass422.13
IUPAC Name1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESO=C(NCCc1nncn1C1CC1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H19ClN6O2/c22-14-3-5-16(6-4-14)28-18(19-2-1-11-30-19)12-17(26-28)21(29)23-10-9-20-25-24-13-27(20)15-7-8-15/h1-6,11-13,15H,7-10H2,(H,23,29)
InChIKeyUDVZEEYFFDJHCC-UHFFFAOYSA-N
XLogP3.68
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.88
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide (CID 86906330) is 1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide is O=C(NCCc1nncn1C1CC1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide?
The InChIKey is UDVZEEYFFDJHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2/c22-14-3-5-16(6-4-14)28-18(19-2-1-11-30-19)12-17(26-28)21(29)23-10-9-20-25-24-13-27(20)15-7-8-15/h1-6,11-13,15H,7-10H2,(H,23,29).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide?
1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide has a molecular weight of 422.88 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 86906330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).