5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine

C13H16ClN3 — CID 43157539

IUPAC5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine
SMILESCCCCc1[nH]nc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3/c1-2-3-4-11-12(13(15)17-16-11)9-5-7-10(14)8-6-9/h5-8H,2-4H2,1H3,(H3,15,16,17)
InChIKeyGNTRZLRKEIGLIA-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.65
Rot. Bonds4

About 5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine

5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine (PubChem CID 43157539) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine
PubChem CID43157539
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine
SMILESCCCCc1[nH]nc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3/c1-2-3-4-11-12(13(15)17-16-11)9-5-7-10(14)8-6-9/h5-8H,2-4H2,1H3,(H3,15,16,17)
InChIKeyGNTRZLRKEIGLIA-UHFFFAOYSA-N
XLogP3.65
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine (CID 43157539) is 5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine is CCCCc1[nH]nc(N)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine?
The InChIKey is GNTRZLRKEIGLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-2-3-4-11-12(13(15)17-16-11)9-5-7-10(14)8-6-9/h5-8H,2-4H2,1H3,(H3,15,16,17).
What are the key properties of 5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine?
5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine has a molecular weight of 249.75 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 43157539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).