1-[1-(4-chlorophenyl)ethyl]-3-N-methyl-5-N-(1H-pyrazol-4-yl)pyrazole-3,5-dicarboxamide

C17H17ClN6O2 — CID 167262412

IUPAC1-[1-(4-chlorophenyl)ethyl]-3-N-methyl-5-N-(1H-pyrazol-4-yl)pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)Nc2cn[nH]c2)n(C(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H17ClN6O2/c1-10(11-3-5-12(18)6-4-11)24-15(7-14(23-24)16(25)19-2)17(26)22-13-8-20-21-9-13/h3-10H,1-2H3,(H,19,25)(H,20,21)(H,22,26)
InChIKeyPTJMJFACYINGBD-UHFFFAOYSA-N
MW372.82 g/mol
LogP2.48
Rot. Bonds5

About 1-[1-(4-chlorophenyl)ethyl]-3-N-methyl-5-N-(1H-pyrazol-4-yl)pyrazole-3,5-dicarboxamide

1-[1-(4-chlorophenyl)ethyl]-3-N-methyl-5-N-(1H-pyrazol-4-yl)pyrazole-3,5-dicarboxamide (PubChem CID 167262412) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]-3-N-methyl-5-N-(1H-pyrazol-4-yl)pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]-3-N-methyl-5-N-(1H-pyrazol-4-yl)pyrazole-3,5-dicarboxamide
PubChem CID167262412
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC Name1-[1-(4-chlorophenyl)ethyl]-3-N-methyl-5-N-(1H-pyrazol-4-yl)pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)Nc2cn[nH]c2)n(C(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H17ClN6O2/c1-10(11-3-5-12(18)6-4-11)24-15(7-14(23-24)16(25)19-2)17(26)22-13-8-20-21-9-13/h3-10H,1-2H3,(H,19,25)(H,20,21)(H,22,26)
InChIKeyPTJMJFACYINGBD-UHFFFAOYSA-N
XLogP2.48
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-3-N-methyl-5-N-(1H-pyrazol-4-yl)pyrazole-3,5-dicarboxamide?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-3-N-methyl-5-N-(1H-pyrazol-4-yl)pyrazole-3,5-dicarboxamide (CID 167262412) is 1-[1-(4-chlorophenyl)ethyl]-3-N-methyl-5-N-(1H-pyrazol-4-yl)pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]-3-N-methyl-5-N-(1H-pyrazol-4-yl)pyrazole-3,5-dicarboxamide?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]-3-N-methyl-5-N-(1H-pyrazol-4-yl)pyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)Nc2cn[nH]c2)n(C(C)c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]-3-N-methyl-5-N-(1H-pyrazol-4-yl)pyrazole-3,5-dicarboxamide?
The InChIKey is PTJMJFACYINGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c1-10(11-3-5-12(18)6-4-11)24-15(7-14(23-24)16(25)19-2)17(26)22-13-8-20-21-9-13/h3-10H,1-2H3,(H,19,25)(H,20,21)(H,22,26).
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]-3-N-methyl-5-N-(1H-pyrazol-4-yl)pyrazole-3,5-dicarboxamide?
1-[1-(4-chlorophenyl)ethyl]-3-N-methyl-5-N-(1H-pyrazol-4-yl)pyrazole-3,5-dicarboxamide has a molecular weight of 372.82 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]-3-N-methyl-5-N-(1H-pyrazol-4-yl)pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 167262412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).