5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine

C16H16ClN3S — CID 103402151

IUPAC5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2c(N)n[nH]c2-c2scc(C)c2Cl)cc1C
InChIInChI=1S/C16H16ClN3S/c1-8-4-5-11(6-9(8)2)12-14(19-20-16(12)18)15-13(17)10(3)7-21-15/h4-7H,1-3H3,(H3,18,19,20)
InChIKeyNIFXRMPQZVCNNK-UHFFFAOYSA-N
MW317.85 g/mol
LogP4.97
Rot. Bonds2

About 5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine

5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine (PubChem CID 103402151) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is 5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine
PubChem CID103402151
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC Name5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2c(N)n[nH]c2-c2scc(C)c2Cl)cc1C
InChIInChI=1S/C16H16ClN3S/c1-8-4-5-11(6-9(8)2)12-14(19-20-16(12)18)15-13(17)10(3)7-21-15/h4-7H,1-3H3,(H3,18,19,20)
InChIKeyNIFXRMPQZVCNNK-UHFFFAOYSA-N
XLogP4.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.85
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 62901471
4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 63525572
4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210614
5-(3-methylthiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524484
5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 107962702
4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921933
4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
CID 2870539
5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 80644815
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235
4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66201499
5-(5-iodothiophen-3-yl)-4-(4-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 79691861
4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79692878

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine (CID 103402151) is 5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine is Cc1ccc(-c2c(N)n[nH]c2-c2scc(C)c2Cl)cc1C.
What is the InChIKey of 5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine?
The InChIKey is NIFXRMPQZVCNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-8-4-5-11(6-9(8)2)12-14(19-20-16(12)18)15-13(17)10(3)7-21-15/h4-7H,1-3H3,(H3,18,19,20).
What are the key properties of 5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine?
5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine has a molecular weight of 317.85 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 103402151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).