(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine

C14H12ClN3S — CID 107361673

IUPAC(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine
SMILESNC(c1ccn(-c2ccccc2)n1)c1sccc1Cl
InChIInChI=1S/C14H12ClN3S/c15-11-7-9-19-14(11)13(16)12-6-8-18(17-12)10-4-2-1-3-5-10/h1-9,13H,16H2
InChIKeyMJBHBJLLFTURQM-UHFFFAOYSA-N
MW289.79 g/mol
LogP3.64
Rot. Bonds3

About (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine

(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine (PubChem CID 107361673) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine
PubChem CID107361673
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine
SMILESNC(c1ccn(-c2ccccc2)n1)c1sccc1Cl
InChIInChI=1S/C14H12ClN3S/c15-11-7-9-19-14(11)13(16)12-6-8-18(17-12)10-4-2-1-3-5-10/h1-9,13H,16H2
InChIKeyMJBHBJLLFTURQM-UHFFFAOYSA-N
XLogP3.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol
CID 107361942
(5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine
CID 105155569
2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine
CID 105096491
2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine
CID 105135243
(2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine
CID 105150847
4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole
CID 80641516
(3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
CID 80529772
[1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324589
1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 105115204
2-(3-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine
CID 105086005
(3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine
CID 107130387
1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol
CID 105089447

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine (CID 107361673) is (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine is NC(c1ccn(-c2ccccc2)n1)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine?
The InChIKey is MJBHBJLLFTURQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c15-11-7-9-19-14(11)13(16)12-6-8-18(17-12)10-4-2-1-3-5-10/h1-9,13H,16H2.
What are the key properties of (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine?
(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine has a molecular weight of 289.79 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107361673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).