5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide

C14H16ClN3O2S — CID 75425510

IUPAC5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide
SMILESCS(=O)CCCNC(=O)c1cn[nH]c1-c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O2S/c1-21(20)7-3-6-16-14(19)12-9-17-18-13(12)10-4-2-5-11(15)8-10/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyABDGRUKKFPNYHX-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.23
Rot. Bonds6

About 5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide

5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide (PubChem CID 75425510) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide
PubChem CID75425510
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide
SMILESCS(=O)CCCNC(=O)c1cn[nH]c1-c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O2S/c1-21(20)7-3-6-16-14(19)12-9-17-18-13(12)10-4-2-5-11(15)8-10/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyABDGRUKKFPNYHX-UHFFFAOYSA-N
XLogP2.23
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824675
5-(3-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155949626
5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride
CID 120652144
5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119536414
5-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 155949629
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 92614346
5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 75378620
N-[4-(4-chloroanilino)-4-oxobutyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55944958
methyl 6-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]hexanoate
CID 29493001
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 166233960

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide (CID 75425510) is 5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide is CS(=O)CCCNC(=O)c1cn[nH]c1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ABDGRUKKFPNYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-21(20)7-3-6-16-14(19)12-9-17-18-13(12)10-4-2-5-11(15)8-10/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide?
5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 325.82 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 75425510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).