3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine

C15H19N3 — CID 83154819

IUPAC3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine
SMILESCC(c1nn(C)c(N)c1-c1ccccc1)C1CC1
InChIInChI=1S/C15H19N3/c1-10(11-8-9-11)14-13(15(16)18(2)17-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9,16H2,1-2H3
InChIKeyNZEVDSIMKYRGHD-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.18
Rot. Bonds3

About 3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine

3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine (PubChem CID 83154819) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine
PubChem CID83154819
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine
SMILESCC(c1nn(C)c(N)c1-c1ccccc1)C1CC1
InChIInChI=1S/C15H19N3/c1-10(11-8-9-11)14-13(15(16)18(2)17-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9,16H2,1-2H3
InChIKeyNZEVDSIMKYRGHD-UHFFFAOYSA-N
XLogP3.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine?
The IUPAC name of 3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine (CID 83154819) is 3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine?
The canonical SMILES for 3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine is CC(c1nn(C)c(N)c1-c1ccccc1)C1CC1.
What is the InChIKey of 3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine?
The InChIKey is NZEVDSIMKYRGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10(11-8-9-11)14-13(15(16)18(2)17-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9,16H2,1-2H3.
What are the key properties of 3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine?
3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine has a molecular weight of 241.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine is sourced from PubChem (CID 83154819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).