4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine

C15H18ClN3 — CID 83154614

IUPAC4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine
SMILESCC(c1nn(C)c(N)c1-c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C15H18ClN3/c1-9(10-6-7-10)14-13(15(17)19(2)18-14)11-4-3-5-12(16)8-11/h3-5,8-10H,6-7,17H2,1-2H3
InChIKeyDYZHIRROGQXKNM-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.84
Rot. Bonds3

About 4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine

4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine (PubChem CID 83154614) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine
PubChem CID83154614
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine
SMILESCC(c1nn(C)c(N)c1-c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C15H18ClN3/c1-9(10-6-7-10)14-13(15(17)19(2)18-14)11-4-3-5-12(16)8-11/h3-5,8-10H,6-7,17H2,1-2H3
InChIKeyDYZHIRROGQXKNM-UHFFFAOYSA-N
XLogP3.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine (CID 83154614) is 4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine is CC(c1nn(C)c(N)c1-c1cccc(Cl)c1)C1CC1.
What is the InChIKey of 4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine?
The InChIKey is DYZHIRROGQXKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-9(10-6-7-10)14-13(15(17)19(2)18-14)11-4-3-5-12(16)8-11/h3-5,8-10H,6-7,17H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine?
4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine has a molecular weight of 275.78 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 83154614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).