(4-methyl-1H-pyrazol-5-yl)phosphane

C4H7N2P — CID 166076503

IUPAC(4-methyl-1H-pyrazol-5-yl)phosphane
SMILESCc1cn[nH]c1P
InChIInChI=1S/C4H7N2P/c1-3-2-5-6-4(3)7/h2H,7H2,1H3,(H,5,6)
InChIKeyMKJLKTHPJKAVRD-UHFFFAOYSA-N
MW114.09 g/mol
LogP0.22
Rot. Bonds

About (4-methyl-1H-pyrazol-5-yl)phosphane

(4-methyl-1H-pyrazol-5-yl)phosphane (PubChem CID 166076503) has the molecular formula C4H7N2P and a molecular weight of 114.09 g/mol. Its IUPAC name is (4-methyl-1H-pyrazol-5-yl)phosphane.

Molecular Properties

Compound Name(4-methyl-1H-pyrazol-5-yl)phosphane
PubChem CID166076503
Molecular FormulaC4H7N2P
Molecular Weight114.09 g/mol
Exact Mass114.03
IUPAC Name(4-methyl-1H-pyrazol-5-yl)phosphane
SMILESCc1cn[nH]c1P
InChIInChI=1S/C4H7N2P/c1-3-2-5-6-4(3)7/h2H,7H2,1H3,(H,5,6)
InChIKeyMKJLKTHPJKAVRD-UHFFFAOYSA-N
XLogP0.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.09
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-methyl-1H-pyrazole
CID 67184620
1-(4-methyl-1H-pyrazol-5-yl)ethanamine
CID 82593631
4-methyl-1H-pyrazole-5-carboxamide
CID 19376020
5-chloro-4-methyl-1H-pyridazin-6-one;ethane
CID 143900026
4-methyl-5-(2-methylpropyl)-1H-pyrazole
CID 3805989
4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid
CID 174823616
5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole
CID 123564030
5-cycloundecyl-4-methyl-1H-pyrazole
CID 173176811
5-(ethoxymethyl)-4-methyl-1H-pyrazole
CID 166123228
4-methyl-5-(1H-pyrazol-1-ium-1-yl)-1H-pyrazole
CID 173358573
1-methyl-3-(4-methyl-1H-pyrazol-5-yl)urea
CID 104620558
4-methyl-5-(2-methylpropoxy)-1H-pyrazole
CID 121252026

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1H-pyrazol-5-yl)phosphane?
The IUPAC name of (4-methyl-1H-pyrazol-5-yl)phosphane (CID 166076503) is (4-methyl-1H-pyrazol-5-yl)phosphane.
What is the SMILES notation for (4-methyl-1H-pyrazol-5-yl)phosphane?
The canonical SMILES for (4-methyl-1H-pyrazol-5-yl)phosphane is Cc1cn[nH]c1P.
What is the InChIKey of (4-methyl-1H-pyrazol-5-yl)phosphane?
The InChIKey is MKJLKTHPJKAVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N2P/c1-3-2-5-6-4(3)7/h2H,7H2,1H3,(H,5,6).
What are the key properties of (4-methyl-1H-pyrazol-5-yl)phosphane?
(4-methyl-1H-pyrazol-5-yl)phosphane has a molecular weight of 114.09 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1H-pyrazol-5-yl)phosphane is sourced from PubChem (CID 166076503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).