(4-chloro-1-methylpyrazol-5-yl) formate

C5H5ClN2O2 — CID 174371398

IUPAC(4-chloro-1-methylpyrazol-5-yl) formate
SMILESCn1ncc(Cl)c1OC=O
InChIInChI=1S/C5H5ClN2O2/c1-8-5(10-3-9)4(6)2-7-8/h2-3H,1H3
InChIKeySVXWONCNSFDTMP-UHFFFAOYSA-N
MW160.56 g/mol
LogP0.61
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl) formate

(4-chloro-1-methylpyrazol-5-yl) formate (PubChem CID 174371398) has the molecular formula C5H5ClN2O2 and a molecular weight of 160.56 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl) formate.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl) formate
PubChem CID174371398
Molecular FormulaC5H5ClN2O2
Molecular Weight160.56 g/mol
Exact Mass160.00
IUPAC Name(4-chloro-1-methylpyrazol-5-yl) formate
SMILESCn1ncc(Cl)c1OC=O
InChIInChI=1S/C5H5ClN2O2/c1-8-5(10-3-9)4(6)2-7-8/h2-3H,1H3
InChIKeySVXWONCNSFDTMP-UHFFFAOYSA-N
XLogP0.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-1-methylpyrazol-5-yl)butanal
CID 83828959
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanal
CID 83828956
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
3-(4-chloro-1-methylpyrazol-5-yl)pentanal
CID 83831795
4-chloro-5-(methoxymethyl)-1-methylpyrazole
CID 19779911
(5E)-5-[(4-chloro-1-methylpyrazol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19618232
4-chloro-N,1-dimethylpyrazol-5-amine
CID 83872406
1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone
CID 83829041
1-(4-chloro-1-methylpyrazol-5-yl)-2-propoxyethanone
CID 114639642
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103168123
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]acetaldehyde
CID 114662453

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl) formate?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl) formate (CID 174371398) is (4-chloro-1-methylpyrazol-5-yl) formate.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl) formate?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl) formate is Cn1ncc(Cl)c1OC=O.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl) formate?
The InChIKey is SVXWONCNSFDTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2/c1-8-5(10-3-9)4(6)2-7-8/h2-3H,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl) formate?
(4-chloro-1-methylpyrazol-5-yl) formate has a molecular weight of 160.56 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl) formate is sourced from PubChem (CID 174371398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).