[3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine

C12H14ClN3 — CID 115092957

IUPAC[3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine
SMILESCn1nc(Cc2cccc(Cl)c2)cc1CN
InChIInChI=1S/C12H14ClN3/c1-16-12(8-14)7-11(15-16)6-9-3-2-4-10(13)5-9/h2-5,7H,6,8,14H2,1H3
InChIKeyKAFZPNRFNPLLNE-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.12
Rot. Bonds3

About [3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine

[3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine (PubChem CID 115092957) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is [3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine
PubChem CID115092957
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name[3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine
SMILESCn1nc(Cc2cccc(Cl)c2)cc1CN
InChIInChI=1S/C12H14ClN3/c1-16-12(8-14)7-11(15-16)6-9-3-2-4-10(13)5-9/h2-5,7H,6,8,14H2,1H3
InChIKeyKAFZPNRFNPLLNE-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine
CID 82024385
2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 79443187
magnesium;(3-chlorophenyl)methanamine;hydride
CID 174518906
5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065554
[5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine
CID 23130572
[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203684
N'-[5-[(3-chlorophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
CID 117210313
3-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carbaldehyde
CID 115093132
2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 79443035
[1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105317037
2-[(3-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine
CID 71251715
4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine
CID 18187707

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine?
The IUPAC name of [3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine (CID 115092957) is [3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine.
What is the SMILES notation for [3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine?
The canonical SMILES for [3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine is Cn1nc(Cc2cccc(Cl)c2)cc1CN.
What is the InChIKey of [3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine?
The InChIKey is KAFZPNRFNPLLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-16-12(8-14)7-11(15-16)6-9-3-2-4-10(13)5-9/h2-5,7H,6,8,14H2,1H3.
What are the key properties of [3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine?
[3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine has a molecular weight of 235.72 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine is sourced from PubChem (CID 115092957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).