3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine

C14H18ClN3 — CID 79405718

IUPAC3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2ccc(C)c(Cl)c2)nn(C)c1N
InChIInChI=1S/C14H18ClN3/c1-4-5-11-13(17-18(3)14(11)16)10-7-6-9(2)12(15)8-10/h6-8H,4-5,16H2,1-3H3
InChIKeyZMSDQQGAKKDISV-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.58
Rot. Bonds3

About 3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine

3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine (PubChem CID 79405718) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine
PubChem CID79405718
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2ccc(C)c(Cl)c2)nn(C)c1N
InChIInChI=1S/C14H18ClN3/c1-4-5-11-13(17-18(3)14(11)16)10-7-6-9(2)12(15)8-10/h6-8H,4-5,16H2,1-3H3
InChIKeyZMSDQQGAKKDISV-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine (CID 79405718) is 3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine is CCCc1c(-c2ccc(C)c(Cl)c2)nn(C)c1N.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine?
The InChIKey is ZMSDQQGAKKDISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-4-5-11-13(17-18(3)14(11)16)10-7-6-9(2)12(15)8-10/h6-8H,4-5,16H2,1-3H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine?
3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine has a molecular weight of 263.77 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine is sourced from PubChem (CID 79405718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).