(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine

C10H13N3S — CID 102803051

IUPAC(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine
SMILESCc1nn(C)cc1C(N)c1cccs1
InChIInChI=1S/C10H13N3S/c1-7-8(6-13(2)12-7)10(11)9-4-3-5-14-9/h3-6,10H,11H2,1-2H3
InChIKeyDTHYKWVAMBBDCT-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.84
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine

(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine (PubChem CID 102803051) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine
PubChem CID102803051
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine
SMILESCc1nn(C)cc1C(N)c1cccs1
InChIInChI=1S/C10H13N3S/c1-7-8(6-13(2)12-7)10(11)9-4-3-5-14-9/h3-6,10H,11H2,1-2H3
InChIKeyDTHYKWVAMBBDCT-UHFFFAOYSA-N
XLogP1.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 102803050
(1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine
CID 102803820
1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol
CID 83091790
1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine
CID 104955785
(4-methyl-3-pyridinyl)-thiophen-2-ylmethanamine
CID 66274388
methyl 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-3-thiophen-2-ylpropanoate
CID 65192283
(1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine
CID 65197301
(1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 102803513
(R)-(3-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223396
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
[1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine
CID 102805130
[(3-ethyl-1-methylpyrazol-4-yl)-thiophen-2-ylmethyl]hydrazine
CID 102813003

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine (CID 102803051) is (1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine is Cc1nn(C)cc1C(N)c1cccs1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine?
The InChIKey is DTHYKWVAMBBDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7-8(6-13(2)12-7)10(11)9-4-3-5-14-9/h3-6,10H,11H2,1-2H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine?
(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine has a molecular weight of 207.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 102803051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).