2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine

C12H17N3S — CID 115654957

IUPAC2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine
SMILESCn1cc(C(C)(C)NCc2ccsc2)cn1
InChIInChI=1S/C12H17N3S/c1-12(2,11-7-14-15(3)8-11)13-6-10-4-5-16-9-10/h4-5,7-9,13H,6H2,1-3H3
InChIKeyXFZIHJIFQGKLSI-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.51
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine

2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine (PubChem CID 115654957) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine
PubChem CID115654957
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine
SMILESCn1cc(C(C)(C)NCc2ccsc2)cn1
InChIInChI=1S/C12H17N3S/c1-12(2,11-7-14-15(3)8-11)13-6-10-4-5-16-9-10/h4-5,7-9,13H,6H2,1-3H3
InChIKeyXFZIHJIFQGKLSI-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(thiophen-3-ylmethyl)urea
CID 111458011
1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 71873043
2-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride
CID 115606235
2-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(thiophen-3-ylmethyl)guanidine
CID 111941013
N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105113824
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide
CID 71867261
2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)propan-2-amine
CID 56825268
1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 62902813
2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine
CID 115702990
1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 55027547
1-chloro-2-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine
CID 105059415
[4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine
CID 103025780

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine (CID 115654957) is 2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine is Cn1cc(C(C)(C)NCc2ccsc2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine?
The InChIKey is XFZIHJIFQGKLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-12(2,11-7-14-15(3)8-11)13-6-10-4-5-16-9-10/h4-5,7-9,13H,6H2,1-3H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine?
2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine has a molecular weight of 235.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 115654957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).