1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine

C10H13N3S — CID 19626756

IUPAC1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCc1nn(C)cc1NCc1ccsc1
InChIInChI=1S/C10H13N3S/c1-8-10(6-13(2)12-8)11-5-9-3-4-14-7-9/h3-4,6-7,11H,5H2,1-2H3
InChIKeyYGWFIOFBYWLAJF-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.40
Rot. Bonds3

About 1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine

1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine (PubChem CID 19626756) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
PubChem CID19626756
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCc1nn(C)cc1NCc1ccsc1
InChIInChI=1S/C10H13N3S/c1-8-10(6-13(2)12-8)11-5-9-3-4-14-7-9/h3-4,6-7,11H,5H2,1-2H3
InChIKeyYGWFIOFBYWLAJF-UHFFFAOYSA-N
XLogP2.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-N'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-N'-(3-thienylmethyl)ethane-1,2-diamine
CID 46986262
(2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine
CID 124848303
2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
CID 55088469
1-Thiophen-3-yl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 61631820
2-Thiophen-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 61631915
N-[(3-methylthiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 62565448
N-[(5-nitrothiophen-3-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 75514822
1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 115742598
1-(Thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 116621382
1-(2-fluoroethyl)-5-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazol-4-amine
CID 122168693
1-(2-fluoroethyl)-3-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazol-4-amine
CID 122168698
1-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 128973411

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine (CID 19626756) is 1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine is Cc1nn(C)cc1NCc1ccsc1.
What is the InChIKey of 1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The InChIKey is YGWFIOFBYWLAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8-10(6-13(2)12-8)11-5-9-3-4-14-7-9/h3-4,6-7,11H,5H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine has a molecular weight of 207.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 19626756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).