[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine

C12H14ClN3O — CID 115069265

IUPAC[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine
SMILESCOc1c(CN)cnn1Cc1ccccc1Cl
InChIInChI=1S/C12H14ClN3O/c1-17-12-10(6-14)7-15-16(12)8-9-4-2-3-5-11(9)13/h2-5,7H,6,8,14H2,1H3
InChIKeyKMAJLUBZLIEHAA-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.05
Rot. Bonds4

About [1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine

[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine (PubChem CID 115069265) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine
PubChem CID115069265
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine
SMILESCOc1c(CN)cnn1Cc1ccccc1Cl
InChIInChI=1S/C12H14ClN3O/c1-17-12-10(6-14)7-15-16(12)8-9-4-2-3-5-11(9)13/h2-5,7H,6,8,14H2,1H3
InChIKeyKMAJLUBZLIEHAA-UHFFFAOYSA-N
XLogP2.05
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid
CID 115069297
3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 115069281
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine
CID 63276674
3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115069221
4-(chloromethyl)-1-[(2-chlorophenyl)methyl]-5-ethylpyrazole
CID 66438839
[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol
CID 115068574
(5-methoxy-1-methylpyrazol-4-yl)methanamine
CID 82594286
1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine
CID 63278624
1-[(2-chlorophenyl)methyl]-5-methoxytriazole-4-carboxylic acid;hydrochloride
CID 70416302
4-chloro-2-[(2-chlorophenyl)methyl]-5-methylpyridazin-3-one
CID 129240521
[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine
CID 62736131
(1-tert-butyl-5-methoxypyrazol-4-yl)methanamine
CID 115069152

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine (CID 115069265) is [1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine is COc1c(CN)cnn1Cc1ccccc1Cl.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine?
The InChIKey is KMAJLUBZLIEHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-17-12-10(6-14)7-15-16(12)8-9-4-2-3-5-11(9)13/h2-5,7H,6,8,14H2,1H3.
What are the key properties of [1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine?
[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine has a molecular weight of 251.72 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine is sourced from PubChem (CID 115069265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).