4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine

C11H12ClN3 — CID 82024385

IUPAC4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(Cc2cccc(Cl)c2)c1N
InChIInChI=1S/C11H12ClN3/c1-15-11(13)9(7-14-15)5-8-3-2-4-10(12)6-8/h2-4,6-7H,5,13H2,1H3
InChIKeyCNRFSBDKJXBXJI-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.25
Rot. Bonds2

About 4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine

4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine (PubChem CID 82024385) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine
PubChem CID82024385
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(Cc2cccc(Cl)c2)c1N
InChIInChI=1S/C11H12ClN3/c1-15-11(13)9(7-14-15)5-8-3-2-4-10(12)6-8/h2-4,6-7H,5,13H2,1H3
InChIKeyCNRFSBDKJXBXJI-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine
CID 82024382
4-chloro-6-[4-[(3-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 166101462
N'-[5-[(3-chlorophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
CID 117210313
1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 22196363
4-chloro-2-[(3-chlorophenyl)methyl]aniline
CID 21497394
[3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine
CID 115092957
2-(3-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105078195
4-ethyl-1-methylpyrazol-5-amine
CID 22456644
N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899747
4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane
CID 155700046
5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine
CID 66629043
3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline
CID 154647621

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine (CID 82024385) is 4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine is Cn1ncc(Cc2cccc(Cl)c2)c1N.
What is the InChIKey of 4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine?
The InChIKey is CNRFSBDKJXBXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-15-11(13)9(7-14-15)5-8-3-2-4-10(12)6-8/h2-4,6-7H,5,13H2,1H3.
What are the key properties of 4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine?
4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine has a molecular weight of 221.69 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 82024385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).