N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine

C13H16ClN3O — CID 54905308

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCOc1ccc(Cl)cc1CNc1c(C)n[nH]c1C
InChIInChI=1S/C13H16ClN3O/c1-8-13(9(2)17-16-8)15-7-10-6-11(14)4-5-12(10)18-3/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyXGGMRLZFQWNUBZ-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.30
Rot. Bonds4

About N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine

N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 54905308) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID54905308
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCOc1ccc(Cl)cc1CNc1c(C)n[nH]c1C
InChIInChI=1S/C13H16ClN3O/c1-8-13(9(2)17-16-8)15-7-10-6-11(14)4-5-12(10)18-3/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyXGGMRLZFQWNUBZ-UHFFFAOYSA-N
XLogP3.30
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-2-methylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 114075363
5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol
CID 43547406
4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 43547176
4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 43547505
N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547239
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline
CID 43646669
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol
CID 63326681
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 43410818
N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine
CID 54905217
3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline
CID 107582300

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 54905308) is N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine is COc1ccc(Cl)cc1CNc1c(C)n[nH]c1C.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is XGGMRLZFQWNUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-8-13(9(2)17-16-8)15-7-10-6-11(14)4-5-12(10)18-3/h4-6,15H,7H2,1-3H3,(H,16,17).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 265.74 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 54905308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).