1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine

C15H14ClN3S — CID 43233196

IUPAC1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
SMILESClc1ccc(CNCc2cn[nH]c2-c2cccs2)cc1
InChIInChI=1S/C15H14ClN3S/c16-13-5-3-11(4-6-13)8-17-9-12-10-18-19-15(12)14-2-1-7-20-14/h1-7,10,17H,8-9H2,(H,18,19)
InChIKeyKITLMNRZNHWLLE-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.08
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine

1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 43233196) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID43233196
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
SMILESClc1ccc(CNCc2cn[nH]c2-c2cccs2)cc1
InChIInChI=1S/C15H14ClN3S/c16-13-5-3-11(4-6-13)8-17-9-12-10-18-19-15(12)14-2-1-7-20-14/h1-7,10,17H,8-9H2,(H,18,19)
InChIKeyKITLMNRZNHWLLE-UHFFFAOYSA-N
XLogP4.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine (CID 43233196) is 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine is Clc1ccc(CNCc2cn[nH]c2-c2cccs2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is KITLMNRZNHWLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c16-13-5-3-11(4-6-13)8-17-9-12-10-18-19-15(12)14-2-1-7-20-14/h1-7,10,17H,8-9H2,(H,18,19).
What are the key properties of 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 303.82 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 43233196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).