1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine

C13H19N3S — CID 104955785

IUPAC1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine
SMILESCc1nn(C)cc1NC(c1cccs1)C(C)C
InChIInChI=1S/C13H19N3S/c1-9(2)13(12-6-5-7-17-12)14-11-8-16(4)15-10(11)3/h5-9,13-14H,1-4H3
InChIKeyINOZCCHGFANLAF-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.60
Rot. Bonds4

About 1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine

1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine (PubChem CID 104955785) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine
PubChem CID104955785
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine
SMILESCc1nn(C)cc1NC(c1cccs1)C(C)C
InChIInChI=1S/C13H19N3S/c1-9(2)13(12-6-5-7-17-12)14-11-8-16(4)15-10(11)3/h5-9,13-14H,1-4H3
InChIKeyINOZCCHGFANLAF-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine
CID 115923197
1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile
CID 55243651
(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine
CID 102803051
2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765887
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43762617
4-chloro-2-methyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridazin-3-one
CID 114417786
N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 102803050
2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol
CID 43790172
2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol
CID 130502699
3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine
CID 104776944
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine
CID 104955905

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine (CID 104955785) is 1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine is Cc1nn(C)cc1NC(c1cccs1)C(C)C.
What is the InChIKey of 1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine?
The InChIKey is INOZCCHGFANLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9(2)13(12-6-5-7-17-12)14-11-8-16(4)15-10(11)3/h5-9,13-14H,1-4H3.
What are the key properties of 1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine?
1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine has a molecular weight of 249.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine is sourced from PubChem (CID 104955785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).