2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

C15H21N3 — CID 17461528

IUPAC2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCc1ccc(-c2[nH]ncc2CNCC(C)C)cc1
InChIInChI=1S/C15H21N3/c1-11(2)8-16-9-14-10-17-18-15(14)13-6-4-12(3)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyZPQWDEWZFCHRBN-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.13
Rot. Bonds5

About 2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 17461528) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
PubChem CID17461528
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCc1ccc(-c2[nH]ncc2CNCC(C)C)cc1
InChIInChI=1S/C15H21N3/c1-11(2)8-16-9-14-10-17-18-15(14)13-6-4-12(3)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyZPQWDEWZFCHRBN-UHFFFAOYSA-N
XLogP3.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;oxalic acid
CID 17461527
4-[4-[(2-methylpropylamino)methyl]-1H-pyrazol-5-yl]benzonitrile
CID 79484688
N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79484850
2-methyl-N-[[5-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79490650
N-[[5-(4-fluoro-3,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79484518
N-[[5-(3-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79485264
2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine
CID 4213258
N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 78959687
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
N-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79485017
N-[[5-(1-ethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79485662
2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine
CID 78894839

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 17461528) is 2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is Cc1ccc(-c2[nH]ncc2CNCC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is ZPQWDEWZFCHRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)8-16-9-14-10-17-18-15(14)13-6-4-12(3)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 17461528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).