5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine

C16H17N3S — CID 65238708

IUPAC5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2c(N)n[nH]c2-c2cc(C)c(C)s2)c1
InChIInChI=1S/C16H17N3S/c1-9-5-4-6-12(7-9)14-15(18-19-16(14)17)13-8-10(2)11(3)20-13/h4-8H,1-3H3,(H3,17,18,19)
InChIKeyLQKYDBLZPMRYBZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.31
Rot. Bonds2

About 5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine

5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 65238708) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
PubChem CID65238708
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2c(N)n[nH]c2-c2cc(C)c(C)s2)c1
InChIInChI=1S/C16H17N3S/c1-9-5-4-6-12(7-9)14-15(18-19-16(14)17)13-8-10(2)11(3)20-13/h4-8H,1-3H3,(H3,17,18,19)
InChIKeyLQKYDBLZPMRYBZ-UHFFFAOYSA-N
XLogP4.31
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235
5-(4,5-dimethylthiophen-2-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 65238808
5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62830116
4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine
CID 63078890
5-(5-methylfuran-3-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114821095
4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 65153436
4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine
CID 65238813
4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
CID 43561020
5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62828722
5-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 80534161
4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
CID 79802922
5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521102

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine (CID 65238708) is 5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine is Cc1cccc(-c2c(N)n[nH]c2-c2cc(C)c(C)s2)c1.
What is the InChIKey of 5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is LQKYDBLZPMRYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-9-5-4-6-12(7-9)14-15(18-19-16(14)17)13-8-10(2)11(3)20-13/h4-8H,1-3H3,(H3,17,18,19).
What are the key properties of 5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 283.40 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 65238708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).