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

C14H16ClN3O — CID 35534416

IUPACN-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C14H16ClN3O/c1-3-7-18-8-6-13(17-18)14(19)16-11-5-4-10(2)12(15)9-11/h4-6,8-9H,3,7H2,1-2H3,(H,16,19)
InChIKeyLGSQGZJZVVPTAZ-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.51
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide (PubChem CID 35534416) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide
PubChem CID35534416
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC NameN-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C14H16ClN3O/c1-3-7-18-8-6-13(17-18)14(19)16-11-5-4-10(2)12(15)9-11/h4-6,8-9H,3,7H2,1-2H3,(H,16,19)
InChIKeyLGSQGZJZVVPTAZ-UHFFFAOYSA-N
XLogP3.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(3-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500163
1-[3-(3-chloro-4-methylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470648
1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide
CID 136551225
1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 35325067
1-[(2S)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]-N-(3-chloro-4-methylphenyl)pyrazole-3-carboxamide
CID 29097720
3-[3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506486
N-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide
CID 35325097
N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264492
N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
3-[(3-chloro-4-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498199
3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506568
N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110859280

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide (CID 35534416) is N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide is CCCn1ccc(C(=O)Nc2ccc(C)c(Cl)c2)n1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide?
The InChIKey is LGSQGZJZVVPTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-7-18-8-6-13(17-18)14(19)16-11-5-4-10(2)12(15)9-11/h4-6,8-9H,3,7H2,1-2H3,(H,16,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide?
N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide has a molecular weight of 277.76 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide is sourced from PubChem (CID 35534416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).