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

C10H13N3S — CID 82236049

IUPAC(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine
SMILESCc1cc(C(N)c2cn[nH]c2)c(C)s1
InChIInChI=1S/C10H13N3S/c1-6-3-9(7(2)14-6)10(11)8-4-12-13-5-8/h3-5,10H,11H2,1-2H3,(H,12,13)
InChIKeyAVBHKACNJOKRKF-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.14
Rot. Bonds2

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

(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine (PubChem CID 82236049) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine
PubChem CID82236049
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine
SMILESCc1cc(C(N)c2cn[nH]c2)c(C)s1
InChIInChI=1S/C10H13N3S/c1-6-3-9(7(2)14-6)10(11)8-4-12-13-5-8/h3-5,10H,11H2,1-2H3,(H,12,13)
InChIKeyAVBHKACNJOKRKF-UHFFFAOYSA-N
XLogP2.14
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine
CID 43124905
1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine
CID 82236033
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 60967175
(3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine
CID 131091311
(2,5-dimethylthiophen-3-yl)-thiophen-3-ylmethanamine
CID 43464505
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103854906
(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 43119710
(3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine
CID 82236060
1-(1H-pyrazol-4-yl)ethanamine;hydrochloride
CID 71757321
(2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine
CID 82237946
(4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine
CID 131111170
(4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine
CID 82239705

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine (CID 82236049) is (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine is Cc1cc(C(N)c2cn[nH]c2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine?
The InChIKey is AVBHKACNJOKRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-6-3-9(7(2)14-6)10(11)8-4-12-13-5-8/h3-5,10H,11H2,1-2H3,(H,12,13).
What are the key properties of (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine?
(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine has a molecular weight of 207.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 82236049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).