2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine

C16H23N3 — CID 79220349

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
SMILESCCNCC(C)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C16H23N3/c1-5-17-11-12(2)16-13(3)18-19(14(16)4)15-9-7-6-8-10-15/h6-10,12,17H,5,11H2,1-4H3
InChIKeyLFDGESKSMAWRMB-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.20
Rot. Bonds5

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine (PubChem CID 79220349) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
PubChem CID79220349
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
SMILESCCNCC(C)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C16H23N3/c1-5-17-11-12(2)16-13(3)18-19(14(16)4)15-9-7-6-8-10-15/h6-10,12,17H,5,11H2,1-4H3
InChIKeyLFDGESKSMAWRMB-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
Dimethylphenylpyrazole
CID 70800
Sant-1
CID 6878030
3,5-ditert-butyl-1-phenyl-1H-pyrazole
CID 1240104
1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637
4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline
CID 714550
1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 5303281
[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 4961800

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine (CID 79220349) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine is CCNCC(C)c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine?
The InChIKey is LFDGESKSMAWRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-17-11-12(2)16-13(3)18-19(14(16)4)15-9-7-6-8-10-15/h6-10,12,17H,5,11H2,1-4H3.
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 79220349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).