[4-(5-butyl-1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]phosphane

C19H22N3P — CID 143601243

IUPAC[4-(5-butyl-1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]phosphane
SMILESCCCCc1c(-c2ccncc2)c(-c2ccc(P)cc2)nn1C
InChIInChI=1S/C19H22N3P/c1-3-4-5-17-18(14-10-12-20-13-11-14)19(21-22(17)2)15-6-8-16(23)9-7-15/h6-13H,3-5,23H2,1-2H3
InChIKeyHBFCERVEEZTWLS-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.99
Rot. Bonds5

About [4-(5-butyl-1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]phosphane

[4-(5-butyl-1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]phosphane (PubChem CID 143601243) has the molecular formula C19H22N3P and a molecular weight of 323.38 g/mol. Its IUPAC name is [4-(5-butyl-1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]phosphane.

Molecular Properties

Compound Name[4-(5-butyl-1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]phosphane
PubChem CID143601243
Molecular FormulaC19H22N3P
Molecular Weight323.38 g/mol
Exact Mass323.16
IUPAC Name[4-(5-butyl-1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]phosphane
SMILESCCCCc1c(-c2ccncc2)c(-c2ccc(P)cc2)nn1C
InChIInChI=1S/C19H22N3P/c1-3-4-5-17-18(14-10-12-20-13-11-14)19(21-22(17)2)15-6-8-16(23)9-7-15/h6-13H,3-5,23H2,1-2H3
InChIKeyHBFCERVEEZTWLS-UHFFFAOYSA-N
XLogP3.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 80524694
[2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol
CID 19355404
3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 80523679
1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine
CID 152648474
3,4,5-tributyl-1-methylpyrazole
CID 57481984
4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine
CID 22037545
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18673983
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-4-ylacetamide
CID 18674111
2-amino-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674150
1-methyl-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyrazole-5-carboxylate
CID 19355776
1-methyl-3-(4-methylsulfonylphenyl)-4-pyridin-4-ylpyrazole-5-carboxylate
CID 19355534
methyl 3-(4-fluorophenyl)-1-methyl-5-octyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 142878861

Frequently Asked Questions

What is the IUPAC name of [4-(5-butyl-1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]phosphane?
The IUPAC name of [4-(5-butyl-1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]phosphane (CID 143601243) is [4-(5-butyl-1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]phosphane.
What is the SMILES notation for [4-(5-butyl-1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]phosphane?
The canonical SMILES for [4-(5-butyl-1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]phosphane is CCCCc1c(-c2ccncc2)c(-c2ccc(P)cc2)nn1C.
What is the InChIKey of [4-(5-butyl-1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]phosphane?
The InChIKey is HBFCERVEEZTWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N3P/c1-3-4-5-17-18(14-10-12-20-13-11-14)19(21-22(17)2)15-6-8-16(23)9-7-15/h6-13H,3-5,23H2,1-2H3.
What are the key properties of [4-(5-butyl-1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]phosphane?
[4-(5-butyl-1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]phosphane has a molecular weight of 323.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-butyl-1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]phosphane is sourced from PubChem (CID 143601243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).