methylidene(1H-pyrazol-5-ylmethyl)phosphane

C5H7N2P — CID 18736785

IUPACmethylidene(1H-pyrazol-5-ylmethyl)phosphane
SMILESC=PCc1ccn[nH]1
InChIInChI=1S/C5H7N2P/c1-8-4-5-2-3-6-7-5/h2-3H,1,4H2,(H,6,7)
InChIKeyKQBHOVYACGTYMX-UHFFFAOYSA-N
MW126.10 g/mol
LogP1.29
Rot. Bonds2

About methylidene(1H-pyrazol-5-ylmethyl)phosphane

methylidene(1H-pyrazol-5-ylmethyl)phosphane (PubChem CID 18736785) has the molecular formula C5H7N2P and a molecular weight of 126.10 g/mol. Its IUPAC name is methylidene(1H-pyrazol-5-ylmethyl)phosphane.

Molecular Properties

Compound Namemethylidene(1H-pyrazol-5-ylmethyl)phosphane
PubChem CID18736785
Molecular FormulaC5H7N2P
Molecular Weight126.10 g/mol
Exact Mass126.03
IUPAC Namemethylidene(1H-pyrazol-5-ylmethyl)phosphane
SMILESC=PCc1ccn[nH]1
InChIInChI=1S/C5H7N2P/c1-8-4-5-2-3-6-7-5/h2-3H,1,4H2,(H,6,7)
InChIKeyKQBHOVYACGTYMX-UHFFFAOYSA-N
XLogP1.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.10
LogP ≤ 51.29
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

1H-pyrazol-5-ylmethanamine;dihydrochloride
CID 23055691
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole
CID 18736779
2-(1H-pyrazol-5-yl)ethanethiol
CID 90977804
5-(2-bromoethyl)-1H-pyrazole
CID 565479
methyl-[2-(1H-pyrazol-5-yl)ethyl]borinic acid
CID 159593056
5-(2,2-dichloroethyl)-1H-pyrazole
CID 141300180
5-(2,2,2-trideuterioethyl)-1H-pyrazole
CID 175719546
4-(1H-pyrazol-5-ylmethyl)pyridine
CID 57052578
5-(hexa-2,4-dien-3-yloxymethyl)-1H-pyrazole
CID 123566091
5-(3,3,3-trifluoropropyl)-1H-pyrazole
CID 122483416
5-pentyl-1H-pyrazole
CID 13433979

Frequently Asked Questions

What is the IUPAC name of methylidene(1H-pyrazol-5-ylmethyl)phosphane?
The IUPAC name of methylidene(1H-pyrazol-5-ylmethyl)phosphane (CID 18736785) is methylidene(1H-pyrazol-5-ylmethyl)phosphane.
What is the SMILES notation for methylidene(1H-pyrazol-5-ylmethyl)phosphane?
The canonical SMILES for methylidene(1H-pyrazol-5-ylmethyl)phosphane is C=PCc1ccn[nH]1.
What is the InChIKey of methylidene(1H-pyrazol-5-ylmethyl)phosphane?
The InChIKey is KQBHOVYACGTYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2P/c1-8-4-5-2-3-6-7-5/h2-3H,1,4H2,(H,6,7).
What are the key properties of methylidene(1H-pyrazol-5-ylmethyl)phosphane?
methylidene(1H-pyrazol-5-ylmethyl)phosphane has a molecular weight of 126.10 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene(1H-pyrazol-5-ylmethyl)phosphane is sourced from PubChem (CID 18736785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).