2-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)propan-1-amine

C11H14ClN3S — CID 176590288

IUPAC2-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(C(C)(CN)c2cc(Cl)cs2)cn1
InChIInChI=1S/C11H14ClN3S/c1-11(7-13,8-4-14-15(2)5-8)10-3-9(12)6-16-10/h3-6H,7,13H2,1-2H3
InChIKeyVYTFNQVQCQKFOP-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.40
Rot. Bonds3

About 2-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)propan-1-amine

2-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 176590288) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 2-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID176590288
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name2-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(C(C)(CN)c2cc(Cl)cs2)cn1
InChIInChI=1S/C11H14ClN3S/c1-11(7-13,8-4-14-15(2)5-8)10-3-9(12)6-16-10/h3-6H,7,13H2,1-2H3
InChIKeyVYTFNQVQCQKFOP-UHFFFAOYSA-N
XLogP2.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 95396406
ethane;1-methyl-4-(trifluoromethyl)pyrazole
CID 145172818
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
4-(4-bromo-2-methylpentan-2-yl)-1-methylpyrazole
CID 64717917
3-(1-methylpyrazol-4-yl)prop-2-yn-1-amine
CID 60801843
(2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide
CID 97250859
2,5-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]thiophene-3-carboxamide
CID 111458654
(2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99626808
2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol
CID 106506219
N-[2-(4-chloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 168934073
2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine
CID 115654957
2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
CID 81020936

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 2-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)propan-1-amine (CID 176590288) is 2-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)propan-1-amine is Cn1cc(C(C)(CN)c2cc(Cl)cs2)cn1.
What is the InChIKey of 2-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is VYTFNQVQCQKFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c1-11(7-13,8-4-14-15(2)5-8)10-3-9(12)6-16-10/h3-6H,7,13H2,1-2H3.
What are the key properties of 2-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)propan-1-amine?
2-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 255.77 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 176590288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).