4-chloro-1-methyl-N-(3-methylphenyl)-3-propylpyrazole-5-carboxamide

C15H18ClN3O — CID 850817

IUPAC4-chloro-1-methyl-N-(3-methylphenyl)-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(=O)Nc2cccc(C)c2)c1Cl
InChIInChI=1S/C15H18ClN3O/c1-4-6-12-13(16)14(19(3)18-12)15(20)17-11-8-5-7-10(2)9-11/h5,7-9H,4,6H2,1-3H3,(H,17,20)
InChIKeyPRJLHQKDFHUXRR-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.59
Rot. Bonds4

About 4-chloro-1-methyl-N-(3-methylphenyl)-3-propylpyrazole-5-carboxamide

4-chloro-1-methyl-N-(3-methylphenyl)-3-propylpyrazole-5-carboxamide (PubChem CID 850817) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(3-methylphenyl)-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(3-methylphenyl)-3-propylpyrazole-5-carboxamide
PubChem CID850817
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-chloro-1-methyl-N-(3-methylphenyl)-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(=O)Nc2cccc(C)c2)c1Cl
InChIInChI=1S/C15H18ClN3O/c1-4-6-12-13(16)14(19(3)18-12)15(20)17-11-8-5-7-10(2)9-11/h5,7-9H,4,6H2,1-3H3,(H,17,20)
InChIKeyPRJLHQKDFHUXRR-UHFFFAOYSA-N
XLogP3.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(3-methylphenyl)-3-propylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(3-methylphenyl)-3-propylpyrazole-5-carboxamide (CID 850817) is 4-chloro-1-methyl-N-(3-methylphenyl)-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(3-methylphenyl)-3-propylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(3-methylphenyl)-3-propylpyrazole-5-carboxamide is CCCc1nn(C)c(C(=O)Nc2cccc(C)c2)c1Cl.
What is the InChIKey of 4-chloro-1-methyl-N-(3-methylphenyl)-3-propylpyrazole-5-carboxamide?
The InChIKey is PRJLHQKDFHUXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-6-12-13(16)14(19(3)18-12)15(20)17-11-8-5-7-10(2)9-11/h5,7-9H,4,6H2,1-3H3,(H,17,20).
What are the key properties of 4-chloro-1-methyl-N-(3-methylphenyl)-3-propylpyrazole-5-carboxamide?
4-chloro-1-methyl-N-(3-methylphenyl)-3-propylpyrazole-5-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(3-methylphenyl)-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 850817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).