prop-1-en-2-yl N-(5-formyl-1H-pyrazol-4-yl)carbamate

C8H9N3O3 — CID 88849088

IUPACprop-1-en-2-yl N-(5-formyl-1H-pyrazol-4-yl)carbamate
SMILESC=C(C)OC(=O)Nc1cn[nH]c1C=O
InChIInChI=1S/C8H9N3O3/c1-5(2)14-8(13)10-6-3-9-11-7(6)4-12/h3-4H,1H2,2H3,(H,9,11)(H,10,13)
InChIKeyBIGXTNKHILZLIK-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.30
Rot. Bonds3

About prop-1-en-2-yl N-(5-formyl-1H-pyrazol-4-yl)carbamate

prop-1-en-2-yl N-(5-formyl-1H-pyrazol-4-yl)carbamate (PubChem CID 88849088) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is prop-1-en-2-yl N-(5-formyl-1H-pyrazol-4-yl)carbamate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-(5-formyl-1H-pyrazol-4-yl)carbamate
PubChem CID88849088
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Nameprop-1-en-2-yl N-(5-formyl-1H-pyrazol-4-yl)carbamate
SMILESC=C(C)OC(=O)Nc1cn[nH]c1C=O
InChIInChI=1S/C8H9N3O3/c1-5(2)14-8(13)10-6-3-9-11-7(6)4-12/h3-4H,1H2,2H3,(H,9,11)(H,10,13)
InChIKeyBIGXTNKHILZLIK-UHFFFAOYSA-N
XLogP1.30
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(1-ethyl-5-formyl-1H-pyrazol-4-yl)carbamate
CID 132398644
1,1-Dimethylethyl N-(5-formyl-1-methyl-1H-pyrazol-4-yl)carbamate
CID 45097907
4-(Boc-amino)pyrazole-5-carbaldehyde
CID 88585636
N-boc-aminopyrazole carbaldehyde
CID 138376833
N-boc-4-aminopyrazole-5-carbaldehyde
CID 138376834
tert-butyl N-(5-acetyl-1H-pyrazol-4-yl)carbamate
CID 68150810
N-(5-formyl-1H-pyrazol-4-yl)-2-iodopropanamide
CID 88585741
4-(cyclopropylamino)-1H-pyrazole-5-carbaldehyde
CID 89048653
prop-1-en-2-yl N-(5-methyl-1H-pyrazol-4-yl)carbamate
CID 89094185
tert-butyl N-(5-formyl-1H-pyrazol-4-yl)-N-methylcarbamate
CID 90747552
tert-butyl N-(1-tert-butyl-5-formyl-1H-pyrazol-4-yl)carbamate
CID 137952318
4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene
CID 142994993

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-(5-formyl-1H-pyrazol-4-yl)carbamate?
The IUPAC name of prop-1-en-2-yl N-(5-formyl-1H-pyrazol-4-yl)carbamate (CID 88849088) is prop-1-en-2-yl N-(5-formyl-1H-pyrazol-4-yl)carbamate.
What is the SMILES notation for prop-1-en-2-yl N-(5-formyl-1H-pyrazol-4-yl)carbamate?
The canonical SMILES for prop-1-en-2-yl N-(5-formyl-1H-pyrazol-4-yl)carbamate is C=C(C)OC(=O)Nc1cn[nH]c1C=O.
What is the InChIKey of prop-1-en-2-yl N-(5-formyl-1H-pyrazol-4-yl)carbamate?
The InChIKey is BIGXTNKHILZLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-5(2)14-8(13)10-6-3-9-11-7(6)4-12/h3-4H,1H2,2H3,(H,9,11)(H,10,13).
What are the key properties of prop-1-en-2-yl N-(5-formyl-1H-pyrazol-4-yl)carbamate?
prop-1-en-2-yl N-(5-formyl-1H-pyrazol-4-yl)carbamate has a molecular weight of 195.18 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-(5-formyl-1H-pyrazol-4-yl)carbamate is sourced from PubChem (CID 88849088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).