4-ethyl-3-(3-methylthiophen-2-yl)-1-phenylpyrazol-5-amine

C16H17N3S — CID 43670877

IUPAC4-ethyl-3-(3-methylthiophen-2-yl)-1-phenylpyrazol-5-amine
SMILESCCc1c(-c2sccc2C)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H17N3S/c1-3-13-14(15-11(2)9-10-20-15)18-19(16(13)17)12-7-5-4-6-8-12/h4-10H,3,17H2,1-2H3
InChIKeyIAFCVBVCYMLJRP-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.05
Rot. Bonds3

About 4-ethyl-3-(3-methylthiophen-2-yl)-1-phenylpyrazol-5-amine

4-ethyl-3-(3-methylthiophen-2-yl)-1-phenylpyrazol-5-amine (PubChem CID 43670877) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-ethyl-3-(3-methylthiophen-2-yl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-ethyl-3-(3-methylthiophen-2-yl)-1-phenylpyrazol-5-amine
PubChem CID43670877
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name4-ethyl-3-(3-methylthiophen-2-yl)-1-phenylpyrazol-5-amine
SMILESCCc1c(-c2sccc2C)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H17N3S/c1-3-13-14(15-11(2)9-10-20-15)18-19(16(13)17)12-7-5-4-6-8-12/h4-10H,3,17H2,1-2H3
InChIKeyIAFCVBVCYMLJRP-UHFFFAOYSA-N
XLogP4.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-3-(4-methylphenyl)-1-phenylpyrazol-5-amine
CID 43670879
4-ethyl-1-phenyl-3-pyrimidin-2-ylpyrazol-5-amine
CID 114552617
3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one
CID 136812338
1-phenyl-4-propyl-3-thiophen-3-ylpyrazol-5-amine
CID 79405275
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
4-ethyl-3-(3-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81121896
3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine
CID 79405595
2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile
CID 5208157
2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 63619127
1-butan-2-yl-3-(3-methylthiophen-2-yl)pyrazol-4-amine
CID 83217737
4-ethyl-5-(2-methylcyclopentyl)-2-phenylpyrazol-3-amine
CID 107179201
5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 136769471

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(3-methylthiophen-2-yl)-1-phenylpyrazol-5-amine?
The IUPAC name of 4-ethyl-3-(3-methylthiophen-2-yl)-1-phenylpyrazol-5-amine (CID 43670877) is 4-ethyl-3-(3-methylthiophen-2-yl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-ethyl-3-(3-methylthiophen-2-yl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-ethyl-3-(3-methylthiophen-2-yl)-1-phenylpyrazol-5-amine is CCc1c(-c2sccc2C)nn(-c2ccccc2)c1N.
What is the InChIKey of 4-ethyl-3-(3-methylthiophen-2-yl)-1-phenylpyrazol-5-amine?
The InChIKey is IAFCVBVCYMLJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-3-13-14(15-11(2)9-10-20-15)18-19(16(13)17)12-7-5-4-6-8-12/h4-10H,3,17H2,1-2H3.
What are the key properties of 4-ethyl-3-(3-methylthiophen-2-yl)-1-phenylpyrazol-5-amine?
4-ethyl-3-(3-methylthiophen-2-yl)-1-phenylpyrazol-5-amine has a molecular weight of 283.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(3-methylthiophen-2-yl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 43670877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).