(3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine

C11H12ClN3 — CID 63963062

IUPAC(3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c1-15-10(5-6-14-15)11(13)8-3-2-4-9(12)7-8/h2-7,11H,13H2,1H3
InChIKeyUNGKWZKBYPJGJC-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.12
Rot. Bonds2

About (3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine

(3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine (PubChem CID 63963062) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is (3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine
PubChem CID63963062
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name(3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c1-15-10(5-6-14-15)11(13)8-3-2-4-9(12)7-8/h2-7,11H,13H2,1H3
InChIKeyUNGKWZKBYPJGJC-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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Related Compounds

[3-(2-methylpropyl)phenyl]-(2-methylpyrazol-3-yl)methanamine
CID 105188165
(5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858606
1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757101
(3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963313
(2,6-dimethyl-4-pyridinyl)-(2-methylpyrazol-3-yl)methanamine
CID 107503143
(4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 106758771
(4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858401
(2-methylpyrazol-3-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105148719
(2-methylpyrazol-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 105155652
(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114686950
(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
CID 115811895
furan-2-yl-(2-methylpyrazol-3-yl)methanamine
CID 63962037

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of (3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine (CID 63963062) is (3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine is Cn1nccc1C(N)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is UNGKWZKBYPJGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-15-10(5-6-14-15)11(13)8-3-2-4-9(12)7-8/h2-7,11H,13H2,1H3.
What are the key properties of (3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine?
(3-chlorophenyl)-(2-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 (3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 63963062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).