N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

C15H21N3 — CID 103009289

IUPACN-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)c1ccccc1C
InChIInChI=1S/C15H21N3/c1-12-6-4-5-7-14(12)15(16-2)9-8-13-10-11-17-18(13)3/h4-7,10-11,15-16H,8-9H2,1-3H3
InChIKeyQPWHRHFQZSSPTP-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.62
Rot. Bonds5

About N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103009289) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103009289
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)c1ccccc1C
InChIInChI=1S/C15H21N3/c1-12-6-4-5-7-14(12)15(16-2)9-8-13-10-11-17-18(13)3/h4-7,10-11,15-16H,8-9H2,1-3H3
InChIKeyQPWHRHFQZSSPTP-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030633
N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 103030866
1-(furan-3-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010290
N-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105094431
1-(3-methoxy-4-pyridinyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030781
N-methyl-1-(2-methylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105094755
N-methyl-3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009605
1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030629
N-methyl-3-(2-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)propan-1-amine
CID 103030587
1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030434
1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009150
N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030444

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103009289) is N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is CNC(CCc1ccnn1C)c1ccccc1C.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is QPWHRHFQZSSPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-6-4-5-7-14(12)15(16-2)9-8-13-10-11-17-18(13)3/h4-7,10-11,15-16H,8-9H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103009289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).