N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine

C12H14ClN3 — CID 78920973

IUPACN-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(CNCc2ccccc2Cl)n1
InChIInChI=1S/C12H14ClN3/c1-16-7-6-11(15-16)9-14-8-10-4-2-3-5-12(10)13/h2-7,14H,8-9H2,1H3
InChIKeyARIUCTAQPKUARS-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.36
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine

N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 78920973) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID78920973
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(CNCc2ccccc2Cl)n1
InChIInChI=1S/C12H14ClN3/c1-16-7-6-11(15-16)9-14-8-10-4-2-3-5-12(10)13/h2-7,14H,8-9H2,1H3
InChIKeyARIUCTAQPKUARS-UHFFFAOYSA-N
XLogP2.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 113434541
3-chloro-4-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzonitrile
CID 102664945
N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78921714
1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 78920807
N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine
CID 64801008
2-fluoro-6-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
CID 112607196
N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 78923359
1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78921551
N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-1-amine
CID 78920976
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 78920944

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine (CID 78920973) is N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine is Cn1ccc(CNCc2ccccc2Cl)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is ARIUCTAQPKUARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-16-7-6-11(15-16)9-14-8-10-4-2-3-5-12(10)13/h2-7,14H,8-9H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 235.72 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 78920973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).