(3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methoxyphenyl)imino-methyl-phenyl-λ5-phosphane

C25H26N3OP — CID 5122330

IUPAC(3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methoxyphenyl)imino-methyl-phenyl-λ5-phosphane
SMILESCOc1ccccc1N=P(C)(c1ccccc1)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C25H26N3OP/c1-19-25(20(2)28(26-19)21-13-7-5-8-14-21)30(4,22-15-9-6-10-16-22)27-23-17-11-12-18-24(23)29-3/h5-18H,1-4H3
InChIKeyCWXAJPPOSIAAFE-UHFFFAOYSA-N
MW415.48 g/mol
LogP5.61
Rot. Bonds5

About (3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methoxyphenyl)imino-methyl-phenyl-λ5-phosphane

(3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methoxyphenyl)imino-methyl-phenyl-λ5-phosphane (PubChem CID 5122330) has the molecular formula C25H26N3OP and a molecular weight of 415.48 g/mol. Its IUPAC name is (3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methoxyphenyl)imino-methyl-phenyl-λ5-phosphane.

Molecular Properties

Compound Name(3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methoxyphenyl)imino-methyl-phenyl-λ5-phosphane
PubChem CID5122330
Molecular FormulaC25H26N3OP
Molecular Weight415.48 g/mol
Exact Mass415.18
IUPAC Name(3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methoxyphenyl)imino-methyl-phenyl-λ5-phosphane
SMILESCOc1ccccc1N=P(C)(c1ccccc1)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C25H26N3OP/c1-19-25(20(2)28(26-19)21-13-7-5-8-14-21)30(4,22-15-9-6-10-16-22)27-23-17-11-12-18-24(23)29-3/h5-18H,1-4H3
InChIKeyCWXAJPPOSIAAFE-UHFFFAOYSA-N
XLogP5.61
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.48
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methoxyphenyl)imino-methyl-phenyl-λ5-phosphane?
The IUPAC name of (3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methoxyphenyl)imino-methyl-phenyl-λ5-phosphane (CID 5122330) is (3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methoxyphenyl)imino-methyl-phenyl-λ5-phosphane.
What is the SMILES notation for (3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methoxyphenyl)imino-methyl-phenyl-λ5-phosphane?
The canonical SMILES for (3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methoxyphenyl)imino-methyl-phenyl-λ5-phosphane is COc1ccccc1N=P(C)(c1ccccc1)c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of (3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methoxyphenyl)imino-methyl-phenyl-λ5-phosphane?
The InChIKey is CWXAJPPOSIAAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N3OP/c1-19-25(20(2)28(26-19)21-13-7-5-8-14-21)30(4,22-15-9-6-10-16-22)27-23-17-11-12-18-24(23)29-3/h5-18H,1-4H3.
What are the key properties of (3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methoxyphenyl)imino-methyl-phenyl-λ5-phosphane?
(3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methoxyphenyl)imino-methyl-phenyl-λ5-phosphane has a molecular weight of 415.48 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-phenylpyrazol-4-yl)-(2-methoxyphenyl)imino-methyl-phenyl-λ5-phosphane is sourced from PubChem (CID 5122330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).