N-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine

C16H23N3O — CID 122168202

IUPACN-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
SMILESCOc1ccccc1CNc1cn(CC(C)C)nc1C
InChIInChI=1S/C16H23N3O/c1-12(2)10-19-11-15(13(3)18-19)17-9-14-7-5-6-8-16(14)20-4/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyYAVJYDKZONBHTR-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.47
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine

N-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine (PubChem CID 122168202) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
PubChem CID122168202
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
SMILESCOc1ccccc1CNc1cn(CC(C)C)nc1C
InChIInChI=1S/C16H23N3O/c1-12(2)10-19-11-15(13(3)18-19)17-9-14-7-5-6-8-16(14)20-4/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyYAVJYDKZONBHTR-UHFFFAOYSA-N
XLogP3.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
CID 126967481
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 19625239
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122169227
N-butyl-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122168927
N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine
CID 122168805
1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride
CID 126966436
3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122167041
2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline
CID 65030382
2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 43757861
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 127265972
1-(2,2-difluoroethyl)-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 25247606
1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine
CID 124932266

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine (CID 122168202) is N-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine is COc1ccccc1CNc1cn(CC(C)C)nc1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine?
The InChIKey is YAVJYDKZONBHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)10-19-11-15(13(3)18-19)17-9-14-7-5-6-8-16(14)20-4/h5-8,11-12,17H,9-10H2,1-4H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine?
N-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine is sourced from PubChem (CID 122168202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).