[1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine

C12H14ClN3 — CID 115041268

IUPAC[1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine
SMILESCCc1cc(CN)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3/c1-2-11-7-10(8-14)15-16(11)12-5-3-9(13)4-6-12/h3-7H,2,8,14H2,1H3
InChIKeyACKLXPFGKIURCN-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.55
Rot. Bonds3

About [1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine

[1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine (PubChem CID 115041268) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine
PubChem CID115041268
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name[1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine
SMILESCCc1cc(CN)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3/c1-2-11-7-10(8-14)15-16(11)12-5-3-9(13)4-6-12/h3-7H,2,8,14H2,1H3
InChIKeyACKLXPFGKIURCN-UHFFFAOYSA-N
XLogP2.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminoethyl)-1-(4-chlorophenyl)pyrazol-3-amine
CID 83868883
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935
(1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
CID 82694547
1-(4-chlorophenyl)-3-propylpyrazol-5-amine
CID 82083521
4-(3,5-diethylpyrazol-1-yl)pyridine
CID 82700412
1-(4-chlorophenyl)-5-ethyl-N-methylpyrazole-3-carboxamide
CID 138706078
4-(3,5-diethylpyrazol-1-yl)-2-methylaniline
CID 82693662
2-bromo-N-[1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]benzamide
CID 46106953
[6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 82693564
4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol
CID 115022979
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250
1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine
CID 68557259

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine?
The IUPAC name of [1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine (CID 115041268) is [1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine?
The canonical SMILES for [1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine is CCc1cc(CN)nn1-c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine?
The InChIKey is ACKLXPFGKIURCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-2-11-7-10(8-14)15-16(11)12-5-3-9(13)4-6-12/h3-7H,2,8,14H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine?
[1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine has a molecular weight of 235.72 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine is sourced from PubChem (CID 115041268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).