N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine

C15H21N3O — CID 55137874

IUPACN-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1cccc(CNCc2ccnn2C)c1
InChIInChI=1S/C15H21N3O/c1-12(2)19-15-6-4-5-13(9-15)10-16-11-14-7-8-17-18(14)3/h4-9,12,16H,10-11H2,1-3H3
InChIKeyMEHBRFISKRTTDB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.50
Rot. Bonds6

About N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine

N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 55137874) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
PubChem CID55137874
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1cccc(CNCc2ccnn2C)c1
InChIInChI=1S/C15H21N3O/c1-12(2)19-15-6-4-5-13(9-15)10-16-11-14-7-8-17-18(14)3/h4-9,12,16H,10-11H2,1-3H3
InChIKeyMEHBRFISKRTTDB-UHFFFAOYSA-N
XLogP2.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965504
1-[3-(3-methoxypropoxy)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 86867695
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625004
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 38057973
1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 112730009
2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 25248276
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 19626584
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 112730010
N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 61211880
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(3-methoxyphenyl)methanamine
CID 122168299
2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 104694287

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine (CID 55137874) is N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine is CC(C)Oc1cccc(CNCc2ccnn2C)c1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is MEHBRFISKRTTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(2)19-15-6-4-5-13(9-15)10-16-11-14-7-8-17-18(14)3/h4-9,12,16H,10-11H2,1-3H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine?
N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 55137874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).