N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine

C13H16ClN3O — CID 56790694

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine
SMILESCOc1ccc(Cl)cc1CN(C)Cc1ccn[nH]1
InChIInChI=1S/C13H16ClN3O/c1-17(9-12-5-6-15-16-12)8-10-7-11(14)3-4-13(10)18-2/h3-7H,8-9H2,1-2H3,(H,15,16)
InChIKeyJFLAHHPCJSZUHC-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.70
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine (PubChem CID 56790694) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine
PubChem CID56790694
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine
SMILESCOc1ccc(Cl)cc1CN(C)Cc1ccn[nH]1
InChIInChI=1S/C13H16ClN3O/c1-17(9-12-5-6-15-16-12)8-10-7-11(14)3-4-13(10)18-2/h3-7H,8-9H2,1-2H3,(H,15,16)
InChIKeyJFLAHHPCJSZUHC-UHFFFAOYSA-N
XLogP2.70
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 117671021
N'-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 117673395
3-(2-Methoxyphenyl)-1H-pyrazole
CID 2736764
3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 3707455
(5-chloro-2-methoxybenzyl)[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]ethylamine
CID 46999917
1-[1-[(5-Chloro-2-methoxyphenyl)methyl]azetidin-3-yl]pyrazole
CID 53583184
5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
CID 118522324
US11306096, Example 77
CID 130431011
1-[(2E)-3-(2-Methoxyphenyl)prop-2-EN-1-YL]-4-(1H-pyrazol-3-YL)piperidine
CID 74250041
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 77090733
(2R)-2-(2-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 97837286
(1S)-1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine
CID 164637322

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine (CID 56790694) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine is COc1ccc(Cl)cc1CN(C)Cc1ccn[nH]1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The InChIKey is JFLAHHPCJSZUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-17(9-12-5-6-15-16-12)8-10-7-11(14)3-4-13(10)18-2/h3-7H,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine has a molecular weight of 265.74 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 56790694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).