1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine

C10H13N3S — CID 19626588

IUPAC1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCn1nccc1CNCc1cccs1
InChIInChI=1S/C10H13N3S/c1-13-9(4-5-12-13)7-11-8-10-3-2-6-14-10/h2-6,11H,7-8H2,1H3
InChIKeyTXLIQAZFTWRFOS-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.77
Rot. Bonds4

About 1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine

1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 19626588) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID19626588
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCn1nccc1CNCc1cccs1
InChIInChI=1S/C10H13N3S/c1-13-9(4-5-12-13)7-11-8-10-3-2-6-14-10/h2-6,11H,7-8H2,1H3
InChIKeyTXLIQAZFTWRFOS-UHFFFAOYSA-N
XLogP1.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol
CID 63302557
N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62999179
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583
(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399075
2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663111
N-(furan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)methanamine
CID 19626581
N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115702299
N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126966027
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 19626584
1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 66411304
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 113442346

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine (CID 19626588) is 1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine is Cn1nccc1CNCc1cccs1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is TXLIQAZFTWRFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-13-9(4-5-12-13)7-11-8-10-3-2-6-14-10/h2-6,11H,7-8H2,1H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine?
1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 207.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 19626588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).