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

C16H23N3 — CID 62730416

IUPAC1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine
SMILESCc1nn(CCc2ccccc2)c(C)c1CC(C)N
InChIInChI=1S/C16H23N3/c1-12(17)11-16-13(2)18-19(14(16)3)10-9-15-7-5-4-6-8-15/h4-8,12H,9-11,17H2,1-3H3
InChIKeyMNCBYRSUWXPZCU-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.63
Rot. Bonds5

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

1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine (PubChem CID 62730416) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine
PubChem CID62730416
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine
SMILESCc1nn(CCc2ccccc2)c(C)c1CC(C)N
InChIInChI=1S/C16H23N3/c1-12(17)11-16-13(2)18-19(14(16)3)10-9-15-7-5-4-6-8-15/h4-8,12H,9-11,17H2,1-3H3
InChIKeyMNCBYRSUWXPZCU-UHFFFAOYSA-N
XLogP2.63
TPSA43.84 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine (CID 62730416) is 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine is Cc1nn(CCc2ccccc2)c(C)c1CC(C)N.
What is the InChIKey of 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine?
The InChIKey is MNCBYRSUWXPZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(17)11-16-13(2)18-19(14(16)3)10-9-15-7-5-4-6-8-15/h4-8,12H,9-11,17H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine?
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 62730416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).