3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine

C14H19N3 — CID 62718594

IUPAC3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine
SMILESCc1ccc(C)c(-n2cc(CCCN)cn2)c1
InChIInChI=1S/C14H19N3/c1-11-5-6-12(2)14(8-11)17-10-13(9-16-17)4-3-7-15/h5-6,8-10H,3-4,7,15H2,1-2H3
InChIKeyKQHPHNMUWHHUJM-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.38
Rot. Bonds4

About 3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine

3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine (PubChem CID 62718594) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine
PubChem CID62718594
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine
SMILESCc1ccc(C)c(-n2cc(CCCN)cn2)c1
InChIInChI=1S/C14H19N3/c1-11-5-6-12(2)14(8-11)17-10-13(9-16-17)4-3-7-15/h5-6,8-10H,3-4,7,15H2,1-2H3
InChIKeyKQHPHNMUWHHUJM-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine (CID 62718594) is 3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine is Cc1ccc(C)c(-n2cc(CCCN)cn2)c1.
What is the InChIKey of 3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine?
The InChIKey is KQHPHNMUWHHUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-5-6-12(2)14(8-11)17-10-13(9-16-17)4-3-7-15/h5-6,8-10H,3-4,7,15H2,1-2H3.
What are the key properties of 3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine?
3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 62718594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).