1-ethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine

C10H13N3S — CID 19626782

IUPAC1-ethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCCn1cc(NCc2ccsc2)cn1
InChIInChI=1S/C10H13N3S/c1-2-13-7-10(6-12-13)11-5-9-3-4-14-8-9/h3-4,6-8,11H,2,5H2,1H3
InChIKeyHEJLAESXAHKXRA-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.58
Rot. Bonds4

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

1-ethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine (PubChem CID 19626782) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-ethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
PubChem CID19626782
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name1-ethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCCn1cc(NCc2ccsc2)cn1
InChIInChI=1S/C10H13N3S/c1-2-13-7-10(6-12-13)11-5-9-3-4-14-8-9/h3-4,6-8,11H,2,5H2,1H3
InChIKeyHEJLAESXAHKXRA-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-3-(1-pyrazol-1-ylpropan-2-yl)-1-(thiophen-3-ylmethyl)urea
CID 45831697
N-methyl-2-(1-pyrazol-1-ylpropan-2-ylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 53529910
N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 56781302
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-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 128973411
N-methyl-3-(1H-pyrazol-1-yl)-N-(3-thienylmethyl)propan-1-amine
CID 50967142
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(3-thienylmethyl)propan-2-amine
CID 50968678
1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazol-3-amine
CID 19626704
1-(Thiophen-3-ylmethyl)pyrazole
CID 63812394
2-(4-methyl-1H-pyrazol-1-yl)thiophen-3-amine
CID 68784506
1-(1-Thiophen-3-ylethenyl)pyrazole
CID 102474620

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine (CID 19626782) is 1-ethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine is CCn1cc(NCc2ccsc2)cn1.
What is the InChIKey of 1-ethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The InChIKey is HEJLAESXAHKXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-2-13-7-10(6-12-13)11-5-9-3-4-14-8-9/h3-4,6-8,11H,2,5H2,1H3.
What are the key properties of 1-ethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
1-ethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine has a molecular weight of 207.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 19626782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).