N-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine

C15H20BrN3O — CID 165478730

IUPACN-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCOc1ccc(CNc2cn(C(C)C)nc2C)c(Br)c1
InChIInChI=1S/C15H20BrN3O/c1-10(2)19-9-15(11(3)18-19)17-8-12-5-6-13(20-4)7-14(12)16/h5-7,9-10,17H,8H2,1-4H3
InChIKeyULVOYZYKIPYCKP-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.16
Rot. Bonds5

About N-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine

N-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 165478730) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
PubChem CID165478730
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC NameN-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCOc1ccc(CNc2cn(C(C)C)nc2C)c(Br)c1
InChIInChI=1S/C15H20BrN3O/c1-10(2)19-9-15(11(3)18-19)17-8-12-5-6-13(20-4)7-14(12)16/h5-7,9-10,17H,8H2,1-4H3
InChIKeyULVOYZYKIPYCKP-UHFFFAOYSA-N
XLogP4.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol
CID 165478717
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122167187
N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122168310
3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine
CID 122169047
4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 62872595
3-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167543
1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
CID 126967481
3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride
CID 126964438
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122167804
N-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122168201
N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866875
2-bromo-4-methoxy-1-(2-methylpropyl)benzene
CID 59138230

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine (CID 165478730) is N-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine is COc1ccc(CNc2cn(C(C)C)nc2C)c(Br)c1.
What is the InChIKey of N-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is ULVOYZYKIPYCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-10(2)19-9-15(11(3)18-19)17-8-12-5-6-13(20-4)7-14(12)16/h5-7,9-10,17H,8H2,1-4H3.
What are the key properties of N-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine?
N-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 338.25 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 165478730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).