(4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine

C11H12ClN3 — CID 65200505

IUPAC(4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(C(N)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H12ClN3/c1-15-7-6-10(14-15)11(13)8-2-4-9(12)5-3-8/h2-7,11H,13H2,1H3
InChIKeyOJQMHFMFJQMYGG-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.12
Rot. Bonds2

About (4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine

(4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine (PubChem CID 65200505) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is (4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
PubChem CID65200505
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name(4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(C(N)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H12ClN3/c1-15-7-6-10(14-15)11(13)8-2-4-9(12)5-3-8/h2-7,11H,13H2,1H3
InChIKeyOJQMHFMFJQMYGG-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of (4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine (CID 65200505) is (4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine is Cn1ccc(C(N)c2ccc(Cl)cc2)n1.
What is the InChIKey of (4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is OJQMHFMFJQMYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-15-7-6-10(14-15)11(13)8-2-4-9(12)5-3-8/h2-7,11H,13H2,1H3.
What are the key properties of (4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine?
(4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 221.69 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 65200505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).