1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine

C14H19N3 — CID 62729897

IUPAC1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCCC(N)c1cnn(Cc2cccc(C)c2)c1
InChIInChI=1S/C14H19N3/c1-3-14(15)13-8-16-17(10-13)9-12-6-4-5-11(2)7-12/h4-8,10,14H,3,9,15H2,1-2H3
InChIKeyNBGLPRUYOYRIEV-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.65
Rot. Bonds4

About 1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine

1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine (PubChem CID 62729897) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
PubChem CID62729897
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCCC(N)c1cnn(Cc2cccc(C)c2)c1
InChIInChI=1S/C14H19N3/c1-3-14(15)13-8-16-17(10-13)9-12-6-4-5-11(2)7-12/h4-8,10,14H,3,9,15H2,1-2H3
InChIKeyNBGLPRUYOYRIEV-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62730349
1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 7017120
1-[1-[(3-bromo-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62730081
[1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 62730723
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanone
CID 62727631
(1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine
CID 104942333
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 55110447
1-[(3-methylphenyl)methyl]-4-nitropyrazole
CID 4581447
[3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine
CID 60873665
1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole
CID 166251290
4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole
CID 167892385
1-(1-butylpyrazol-4-yl)propan-1-amine
CID 62731708

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine (CID 62729897) is 1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine is CCC(N)c1cnn(Cc2cccc(C)c2)c1.
What is the InChIKey of 1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine?
The InChIKey is NBGLPRUYOYRIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-14(15)13-8-16-17(10-13)9-12-6-4-5-11(2)7-12/h4-8,10,14H,3,9,15H2,1-2H3.
What are the key properties of 1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine?
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 62729897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).