3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine

C14H19N3 — CID 79220501

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(-c2ccccc2)c(C)c1CCCN
InChIInChI=1S/C14H19N3/c1-11-14(9-6-10-15)12(2)17(16-11)13-7-4-3-5-8-13/h3-5,7-8H,6,9-10,15H2,1-2H3
InChIKeyNHRLMUJMWGAARR-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.38
Rot. Bonds4

About 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine (PubChem CID 79220501) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
PubChem CID79220501
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(-c2ccccc2)c(C)c1CCCN
InChIInChI=1S/C14H19N3/c1-11-14(9-6-10-15)12(2)17(16-11)13-7-4-3-5-8-13/h3-5,7-8H,6,9-10,15H2,1-2H3
InChIKeyNHRLMUJMWGAARR-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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Related Compounds

3-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79224848
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 79220500
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
N'-[4-(3-aminopropyl)-3-methyl-1-phenylpyrazol-5-yl]-N,N-dimethylmethanimidamide
CID 170878384
2-(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)ethanamine
CID 63818020
3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 82471672
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide
CID 110717337
[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride
CID 68802903
4-(2-aminoethyl)-N-ethyl-3-methyl-1-phenyl-N-propylpyrazol-5-amine
CID 63783051
2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine
CID 20983039
2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine
CID 20983040

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine (CID 79220501) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine is Cc1nn(-c2ccccc2)c(C)c1CCCN.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine?
The InChIKey is NHRLMUJMWGAARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-14(9-6-10-15)12(2)17(16-11)13-7-4-3-5-8-13/h3-5,7-8H,6,9-10,15H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine?
3-(3,5-dimethyl-1-phenylpyrazol-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-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 79220501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).