4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine

C15H20ClN3 — CID 43336306

IUPAC4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
SMILESCCCC(C)c1nn(C)c(N)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3/c1-4-6-10(2)14-13(15(17)19(3)18-14)11-7-5-8-12(16)9-11/h5,7-10H,4,6,17H2,1-3H3
InChIKeyDQQGWUDQIMLYDI-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.23
Rot. Bonds4

About 4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine

4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine (PubChem CID 43336306) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
PubChem CID43336306
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
SMILESCCCC(C)c1nn(C)c(N)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3/c1-4-6-10(2)14-13(15(17)19(3)18-14)11-7-5-8-12(16)9-11/h5,7-10H,4,6,17H2,1-3H3
InChIKeyDQQGWUDQIMLYDI-UHFFFAOYSA-N
XLogP4.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine
CID 83154614
3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine
CID 62830810
4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
CID 43336687
4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43158527
4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine
CID 83813957
4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine
CID 43158522
1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine
CID 62829768
3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine
CID 43336312
5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
CID 136710573
5-(3-chlorophenyl)-3-methylimidazol-4-amine
CID 53275817
4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine
CID 107962606
4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
CID 43158669

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine?
The IUPAC name of 4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine (CID 43336306) is 4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine is CCCC(C)c1nn(C)c(N)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine?
The InChIKey is DQQGWUDQIMLYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-4-6-10(2)14-13(15(17)19(3)18-14)11-7-5-8-12(16)9-11/h5,7-10H,4,6,17H2,1-3H3.
What are the key properties of 4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine?
4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine has a molecular weight of 277.80 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine is sourced from PubChem (CID 43336306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).