2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine

C12H15N3S — CID 115702990

IUPAC2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine
SMILESc1cc(NCc2ccsc2)n(CC2CC2)n1
InChIInChI=1S/C12H15N3S/c1-2-10(1)8-15-12(3-5-14-15)13-7-11-4-6-16-9-11/h3-6,9-10,13H,1-2,7-8H2
InChIKeyXZQFMOMCIQWVKS-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.97
Rot. Bonds5

About 2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine

2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine (PubChem CID 115702990) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine
PubChem CID115702990
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine
SMILESc1cc(NCc2ccsc2)n(CC2CC2)n1
InChIInChI=1S/C12H15N3S/c1-2-10(1)8-15-12(3-5-14-15)13-7-11-4-6-16-9-11/h3-6,9-10,13H,1-2,7-8H2
InChIKeyXZQFMOMCIQWVKS-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride
CID 115606235
2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride
CID 115606209
N-cyclopentyl-2-(cyclopropylmethyl)pyrazol-3-amine
CID 115702987
2-(cyclopropylmethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921793
5-bromo-1-(cyclopropylmethyl)pyrazole
CID 84776026
2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine
CID 115654957
1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 19626652
5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106961019
3-(2-cyclopropylethyl)thiophene
CID 159324839
1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine
CID 121214182
N-(thiophen-3-ylmethyl)isoquinolin-5-amine
CID 43681310
2-(cyclopropylmethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine
CID 115921784

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine?
The IUPAC name of 2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine (CID 115702990) is 2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine is c1cc(NCc2ccsc2)n(CC2CC2)n1.
What is the InChIKey of 2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine?
The InChIKey is XZQFMOMCIQWVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-10(1)8-15-12(3-5-14-15)13-7-11-4-6-16-9-11/h3-6,9-10,13H,1-2,7-8H2.
What are the key properties of 2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine?
2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine has a molecular weight of 233.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 115702990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).