2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine

C15H21N3 — CID 82870328

IUPAC2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCc1ccc(C(C)(N)Cc2ccn(C)n2)cc1C
InChIInChI=1S/C15H21N3/c1-11-5-6-13(9-12(11)2)15(3,16)10-14-7-8-18(4)17-14/h5-9H,10,16H2,1-4H3
InChIKeyXBXHKWVNKKTLHH-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.45
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine

2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine (PubChem CID 82870328) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
PubChem CID82870328
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCc1ccc(C(C)(N)Cc2ccn(C)n2)cc1C
InChIInChI=1S/C15H21N3/c1-11-5-6-13(9-12(11)2)15(3,16)10-14-7-8-18(4)17-14/h5-9H,10,16H2,1-4H3
InChIKeyXBXHKWVNKKTLHH-UHFFFAOYSA-N
XLogP2.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82868491
2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82869106
2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82870218
2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol
CID 114083203
1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 105403015
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 63411763
N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882063
1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine
CID 82869830
1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine
CID 64785649
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol
CID 82869305
diethyl 2-methyl-2-[(1-methylpyrazol-3-yl)methyl]propanedioate
CID 103972610

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine (CID 82870328) is 2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine is Cc1ccc(C(C)(N)Cc2ccn(C)n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine?
The InChIKey is XBXHKWVNKKTLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-5-6-13(9-12(11)2)15(3,16)10-14-7-8-18(4)17-14/h5-9H,10,16H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine?
2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 82870328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).