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

C16H20ClN3O — CID 850844

IUPAC4-chloro-N-(3-ethylphenyl)-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(=O)Nc2cccc(CC)c2)c1Cl
InChIInChI=1S/C16H20ClN3O/c1-4-7-13-14(17)15(20(3)19-13)16(21)18-12-9-6-8-11(5-2)10-12/h6,8-10H,4-5,7H2,1-3H3,(H,18,21)
InChIKeyROSQYUUJPOEYED-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.84
Rot. Bonds5

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

4-chloro-N-(3-ethylphenyl)-1-methyl-3-propylpyrazole-5-carboxamide (PubChem CID 850844) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-chloro-N-(3-ethylphenyl)-1-methyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-ethylphenyl)-1-methyl-3-propylpyrazole-5-carboxamide
PubChem CID850844
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name4-chloro-N-(3-ethylphenyl)-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(=O)Nc2cccc(CC)c2)c1Cl
InChIInChI=1S/C16H20ClN3O/c1-4-7-13-14(17)15(20(3)19-13)16(21)18-12-9-6-8-11(5-2)10-12/h6,8-10H,4-5,7H2,1-3H3,(H,18,21)
InChIKeyROSQYUUJPOEYED-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethylphenyl)-1-methyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(3-ethylphenyl)-1-methyl-3-propylpyrazole-5-carboxamide (CID 850844) is 4-chloro-N-(3-ethylphenyl)-1-methyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-ethylphenyl)-1-methyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(3-ethylphenyl)-1-methyl-3-propylpyrazole-5-carboxamide is CCCc1nn(C)c(C(=O)Nc2cccc(CC)c2)c1Cl.
What is the InChIKey of 4-chloro-N-(3-ethylphenyl)-1-methyl-3-propylpyrazole-5-carboxamide?
The InChIKey is ROSQYUUJPOEYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-7-13-14(17)15(20(3)19-13)16(21)18-12-9-6-8-11(5-2)10-12/h6,8-10H,4-5,7H2,1-3H3,(H,18,21).
What are the key properties of 4-chloro-N-(3-ethylphenyl)-1-methyl-3-propylpyrazole-5-carboxamide?
4-chloro-N-(3-ethylphenyl)-1-methyl-3-propylpyrazole-5-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethylphenyl)-1-methyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 850844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).