1-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyrazole-3-carboxamide

C17H15ClN6O — CID 175203286

IUPAC1-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyrazole-3-carboxamide
SMILESCC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)n1ccc(C(N)=O)n1
InChIInChI=1S/C17H15ClN6O/c1-11(24-7-5-16(22-24)17(20)25)10-23-6-4-15(21-23)12-2-3-13(9-19)14(18)8-12/h2-8,11H,10H2,1H3,(H2,20,25)
InChIKeyYCSAFWJUUBSMPL-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.63
Rot. Bonds5

About 1-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyrazole-3-carboxamide

1-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyrazole-3-carboxamide (PubChem CID 175203286) has the molecular formula C17H15ClN6O and a molecular weight of 354.80 g/mol. Its IUPAC name is 1-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyrazole-3-carboxamide
PubChem CID175203286
Molecular FormulaC17H15ClN6O
Molecular Weight354.80 g/mol
Exact Mass354.10
IUPAC Name1-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyrazole-3-carboxamide
SMILESCC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)n1ccc(C(N)=O)n1
InChIInChI=1S/C17H15ClN6O/c1-11(24-7-5-16(22-24)17(20)25)10-23-6-4-15(21-23)12-2-3-13(9-19)14(18)8-12/h2-8,11H,10H2,1H3,(H2,20,25)
InChIKeyYCSAFWJUUBSMPL-UHFFFAOYSA-N
XLogP2.63
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyrazole-3-carboxamide (CID 175203286) is 1-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyrazole-3-carboxamide is CC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)n1ccc(C(N)=O)n1.
What is the InChIKey of 1-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyrazole-3-carboxamide?
The InChIKey is YCSAFWJUUBSMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O/c1-11(24-7-5-16(22-24)17(20)25)10-23-6-4-15(21-23)12-2-3-13(9-19)14(18)8-12/h2-8,11H,10H2,1H3,(H2,20,25).
What are the key properties of 1-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyrazole-3-carboxamide?
1-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyrazole-3-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 175203286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).