5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine

C13H14ClN3 — CID 63049011

IUPAC5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine
SMILESCc1c(NC2CC2)n[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3/c1-8-12(9-2-4-10(14)5-3-9)16-17-13(8)15-11-6-7-11/h2-5,11H,6-7H2,1H3,(H2,15,16,17)
InChIKeyWTIYRRMQVRUZPC-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.61
Rot. Bonds3

About 5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine

5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine (PubChem CID 63049011) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine
PubChem CID63049011
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine
SMILESCc1c(NC2CC2)n[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3/c1-8-12(9-2-4-10(14)5-3-9)16-17-13(8)15-11-6-7-11/h2-5,11H,6-7H2,1H3,(H2,15,16,17)
InChIKeyWTIYRRMQVRUZPC-UHFFFAOYSA-N
XLogP3.61
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine (CID 63049011) is 5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine is Cc1c(NC2CC2)n[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine?
The InChIKey is WTIYRRMQVRUZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-8-12(9-2-4-10(14)5-3-9)16-17-13(8)15-11-6-7-11/h2-5,11H,6-7H2,1H3,(H2,15,16,17).
What are the key properties of 5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine?
5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine has a molecular weight of 247.73 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63049011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).