N-[(1-methylpyrazol-4-yl)methyl]thiophen-2-amine

C9H11N3S — CID 174903168

IUPACN-[(1-methylpyrazol-4-yl)methyl]thiophen-2-amine
SMILESCn1cc(CNc2cccs2)cn1
InChIInChI=1S/C9H11N3S/c1-12-7-8(6-11-12)5-10-9-3-2-4-13-9/h2-4,6-7,10H,5H2,1H3
InChIKeyZNSZXIXHNPTZCX-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.09
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]thiophen-2-amine

N-[(1-methylpyrazol-4-yl)methyl]thiophen-2-amine (PubChem CID 174903168) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]thiophen-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]thiophen-2-amine
PubChem CID174903168
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]thiophen-2-amine
SMILESCn1cc(CNc2cccs2)cn1
InChIInChI=1S/C9H11N3S/c1-12-7-8(6-11-12)5-10-9-3-2-4-13-9/h2-4,6-7,10H,5H2,1H3
InChIKeyZNSZXIXHNPTZCX-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Thiophen-2-yl)-1H-pyrazole
CID 12554484
4-Fluoro-1-thiophen-2-ylpyrazole
CID 91802495
1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 115742598
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(3-thienylmethyl)methanamine
CID 50964030
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
4-(Chloromethyl)-1-thiophen-2-ylpyrazole
CID 59759400
1-(Thiophen-3-ylmethyl)pyrazole
CID 63812394
5-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207277
3-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207650
3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-amine
CID 67582786

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]thiophen-2-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]thiophen-2-amine (CID 174903168) is N-[(1-methylpyrazol-4-yl)methyl]thiophen-2-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]thiophen-2-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]thiophen-2-amine is Cn1cc(CNc2cccs2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]thiophen-2-amine?
The InChIKey is ZNSZXIXHNPTZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-12-7-8(6-11-12)5-10-9-3-2-4-13-9/h2-4,6-7,10H,5H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]thiophen-2-amine?
N-[(1-methylpyrazol-4-yl)methyl]thiophen-2-amine has a molecular weight of 193.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]thiophen-2-amine is sourced from PubChem (CID 174903168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).