(1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine

C17H25N3 — CID 81350265

IUPAC(1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESCc1ccc([C@@H](C)NCc2cn(C)nc2C(C)C)cc1
InChIInChI=1S/C17H25N3/c1-12(2)17-16(11-20(5)19-17)10-18-14(4)15-8-6-13(3)7-9-15/h6-9,11-12,14,18H,10H2,1-5H3/t14-/m1/s1
InChIKeyBMQVZYBKDRKHEM-CQSZACIVSA-N
MW271.41 g/mol
LogP3.70
Rot. Bonds5

About (1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine

(1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine (PubChem CID 81350265) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is (1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
PubChem CID81350265
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name(1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESCc1ccc([C@@H](C)NCc2cn(C)nc2C(C)C)cc1
InChIInChI=1S/C17H25N3/c1-12(2)17-16(11-20(5)19-17)10-18-14(4)15-8-6-13(3)7-9-15/h6-9,11-12,14,18H,10H2,1-5H3/t14-/m1/s1
InChIKeyBMQVZYBKDRKHEM-CQSZACIVSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 112549296
(1R)-1-(3-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 81363130
4-[1-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]phenol
CID 112668646
(1S)-1-(4-bromophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088989
(1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399161
N-[1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 66010565
(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 83089241
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-nitrophenyl)ethanamine
CID 115989337
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281876
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine;hydrochloride
CID 47612776
1-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54893050

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine (CID 81350265) is (1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine is Cc1ccc([C@@H](C)NCc2cn(C)nc2C(C)C)cc1.
What is the InChIKey of (1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is BMQVZYBKDRKHEM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)17-16(11-20(5)19-17)10-18-14(4)15-8-6-13(3)7-9-15/h6-9,11-12,14,18H,10H2,1-5H3/t14-/m1/s1.
What are the key properties of (1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
(1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 81350265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).