[2-(1-methylpyrazol-4-yl)phenyl]phosphane

C10H11N2P — CID 166648081

IUPAC[2-(1-methylpyrazol-4-yl)phenyl]phosphane
SMILESCn1cc(-c2ccccc2P)cn1
InChIInChI=1S/C10H11N2P/c1-12-7-8(6-11-12)9-4-2-3-5-10(9)13/h2-7H,13H2,1H3
InChIKeyMPAWFKULYKALEE-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.59
Rot. Bonds1

About [2-(1-methylpyrazol-4-yl)phenyl]phosphane

[2-(1-methylpyrazol-4-yl)phenyl]phosphane (PubChem CID 166648081) has the molecular formula C10H11N2P and a molecular weight of 190.19 g/mol. Its IUPAC name is [2-(1-methylpyrazol-4-yl)phenyl]phosphane.

Molecular Properties

Compound Name[2-(1-methylpyrazol-4-yl)phenyl]phosphane
PubChem CID166648081
Molecular FormulaC10H11N2P
Molecular Weight190.19 g/mol
Exact Mass190.07
IUPAC Name[2-(1-methylpyrazol-4-yl)phenyl]phosphane
SMILESCn1cc(-c2ccccc2P)cn1
InChIInChI=1S/C10H11N2P/c1-12-7-8(6-11-12)9-4-2-3-5-10(9)13/h2-7H,13H2,1H3
InChIKeyMPAWFKULYKALEE-UHFFFAOYSA-N
XLogP1.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296
4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole
CID 121383013
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
[2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 171364559
2-methoxy-3-(1-methylpyrazol-4-yl)benzenethiol
CID 171086483
2-methoxy-6-(1-methylpyrazol-4-yl)phenol
CID 83130518
4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698328
1-methyl-4-[2-(2-methyl-4,5-dimethylideneoxolan-2-yl)phenyl]pyrazole
CID 178146839
1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea
CID 5111829
2-fluoro-6-(1-methylpyrazol-4-yl)benzoic acid
CID 114560297
2-chloro-4-(1-methylpyrazol-4-yl)quinoline
CID 171561069

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrazol-4-yl)phenyl]phosphane?
The IUPAC name of [2-(1-methylpyrazol-4-yl)phenyl]phosphane (CID 166648081) is [2-(1-methylpyrazol-4-yl)phenyl]phosphane.
What is the SMILES notation for [2-(1-methylpyrazol-4-yl)phenyl]phosphane?
The canonical SMILES for [2-(1-methylpyrazol-4-yl)phenyl]phosphane is Cn1cc(-c2ccccc2P)cn1.
What is the InChIKey of [2-(1-methylpyrazol-4-yl)phenyl]phosphane?
The InChIKey is MPAWFKULYKALEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2P/c1-12-7-8(6-11-12)9-4-2-3-5-10(9)13/h2-7H,13H2,1H3.
What are the key properties of [2-(1-methylpyrazol-4-yl)phenyl]phosphane?
[2-(1-methylpyrazol-4-yl)phenyl]phosphane has a molecular weight of 190.19 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrazol-4-yl)phenyl]phosphane is sourced from PubChem (CID 166648081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).