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

C16H23N3O — CID 122168201

IUPACN-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
SMILESCOc1ccc(CNc2cn(CC(C)C)nc2C)cc1
InChIInChI=1S/C16H23N3O/c1-12(2)10-19-11-16(13(3)18-19)17-9-14-5-7-15(20-4)8-6-14/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyAKEQQQZHAPYZAB-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.47
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine (PubChem CID 122168201) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
PubChem CID122168201
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
SMILESCOc1ccc(CNc2cn(CC(C)C)nc2C)cc1
InChIInChI=1S/C16H23N3O/c1-12(2)10-19-11-16(13(3)18-19)17-9-14-5-7-15(20-4)8-6-14/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyAKEQQQZHAPYZAB-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

N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866875
1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine
CID 104954455
N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126965644
N-benzyl-1-ethyl-3-methylpyrazol-4-amine;hydrochloride
CID 126964772
6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868056
1-(4-methoxyphenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine
CID 122166231
1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine
CID 122168109
N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126964491
N-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 165478730
2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965311
5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol
CID 165478717
2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 122168607

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine (CID 122168201) is N-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine is COc1ccc(CNc2cn(CC(C)C)nc2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine?
The InChIKey is AKEQQQZHAPYZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)10-19-11-16(13(3)18-19)17-9-14-5-7-15(20-4)8-6-14/h5-8,11-12,17H,9-10H2,1-4H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine?
N-[(4-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-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine is sourced from PubChem (CID 122168201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).