2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine

C18H27N3 — CID 79430703

IUPAC2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine
SMILESCc1ccc(C(CNCC(C)C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C18H27N3/c1-14(2)10-19-12-18(9-16-11-20-21(4)13-16)17-7-5-15(3)6-8-17/h5-8,11,13-14,18-19H,9-10,12H2,1-4H3
InChIKeyOCEWCUZGOCXYIK-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.30
Rot. Bonds7

About 2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine

2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine (PubChem CID 79430703) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine
PubChem CID79430703
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine
SMILESCc1ccc(C(CNCC(C)C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C18H27N3/c1-14(2)10-19-12-18(9-16-11-20-21(4)13-16)17-7-5-15(3)6-8-17/h5-8,11,13-14,18-19H,9-10,12H2,1-4H3
InChIKeyOCEWCUZGOCXYIK-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propyl]-2-methylpropan-1-amine
CID 79429956
2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 79436107
2-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 79438534
N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62530457
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62516241
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 62125918
2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine
CID 79430702
3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 103014335
2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 79438146
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 62461742
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol
CID 66057746

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine (CID 79430703) is 2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine is Cc1ccc(C(CNCC(C)C)Cc2cnn(C)c2)cc1.
What is the InChIKey of 2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine?
The InChIKey is OCEWCUZGOCXYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14(2)10-19-12-18(9-16-11-20-21(4)13-16)17-7-5-15(3)6-8-17/h5-8,11,13-14,18-19H,9-10,12H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine?
2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine is sourced from PubChem (CID 79430703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).