1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine

C11H12ClN3 — CID 63276674

IUPAC1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1Cc1ccccc1Cl
InChIInChI=1S/C11H12ClN3/c1-8-11(13)6-14-15(8)7-9-4-2-3-5-10(9)12/h2-6H,7,13H2,1H3
InChIKeyFVLJYKPUJGULFT-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.48
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine

1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine (PubChem CID 63276674) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine
PubChem CID63276674
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1Cc1ccccc1Cl
InChIInChI=1S/C11H12ClN3/c1-8-11(13)6-14-15(8)7-9-4-2-3-5-10(9)12/h2-6H,7,13H2,1H3
InChIKeyFVLJYKPUJGULFT-UHFFFAOYSA-N
XLogP2.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine
CID 63278624
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-amine
CID 7017721
4-chloro-2-[(2-chlorophenyl)methyl]-5-methylpyridazin-3-one
CID 129240521
2-[(2-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
CID 63276587
4-(chloromethyl)-1-[(2-chlorophenyl)methyl]-5-ethylpyrazole
CID 66438839
[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine
CID 115069265
[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol
CID 115068574
1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine
CID 79542823
2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide
CID 115465628
2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 61354425
1-[(2-bromothiophen-3-yl)methyl]-5-methylpyrazol-4-amine
CID 165471888
[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol
CID 82203375

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine (CID 63276674) is 1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine is Cc1c(N)cnn1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine?
The InChIKey is FVLJYKPUJGULFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-8-11(13)6-14-15(8)7-9-4-2-3-5-10(9)12/h2-6H,7,13H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine?
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine has a molecular weight of 221.69 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine is sourced from PubChem (CID 63276674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).