2-(5-formamidopyrazol-1-yl)ethyl formate

C7H9N3O3 — CID 14996567

IUPAC2-(5-formamidopyrazol-1-yl)ethyl formate
SMILESO=CNc1ccnn1CCOC=O
InChIInChI=1S/C7H9N3O3/c11-5-8-7-1-2-9-10(7)3-4-13-6-12/h1-2,5-6H,3-4H2,(H,8,11)
InChIKeyADNBFDFIEWMUBJ-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.38
Rot. Bonds6

About 2-(5-formamidopyrazol-1-yl)ethyl formate

2-(5-formamidopyrazol-1-yl)ethyl formate (PubChem CID 14996567) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(5-formamidopyrazol-1-yl)ethyl formate.

Molecular Properties

Compound Name2-(5-formamidopyrazol-1-yl)ethyl formate
PubChem CID14996567
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(5-formamidopyrazol-1-yl)ethyl formate
SMILESO=CNc1ccnn1CCOC=O
InChIInChI=1S/C7H9N3O3/c11-5-8-7-1-2-9-10(7)3-4-13-6-12/h1-2,5-6H,3-4H2,(H,8,11)
InChIKeyADNBFDFIEWMUBJ-UHFFFAOYSA-N
XLogP-0.38
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3-Methoxypropyl)pyrazol-3-yl]-3-propylurea
CID 72008027
ethyl 2-(5-amino-1H-pyrazol-1-yl)acetate hydrochloride
CID 165758789
(2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide
CID 86800094
ethyl 2-(5-amino-1H-pyrazol-1-yl)acetate
CID 63277595
[1-(2-fluoroethyl)-1H-pyrazol-5-yl]formamide
CID 85666041
[2-(2-Fluoroethyl)pyrazol-3-yl]carbamic acid
CID 130424129
tert-butyl N-[2-[(2S)-1-(trifluoromethoxy)propan-2-yl]pyrazol-3-yl]carbamate
CID 178259567
2,2,2-trifluoroethyl N-[2-(2-methylpropyl)-2,3-dihydro-1H-pyrazol-3-ylidene]carbamate
CID 50986568
2,2,2-trifluoroethyl N-(2-propyl-2,3-dihydro-1H-pyrazol-3-ylidene)carbamate
CID 52908163
2,2,2-trifluoroethyl N-[2-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-ylidene]carbamate
CID 53616785
N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86991460
2,2,2-trifluoroethyl N-(1-methyl-1H-pyrazol-5-yl)carbamate
CID 103280977

Frequently Asked Questions

What is the IUPAC name of 2-(5-formamidopyrazol-1-yl)ethyl formate?
The IUPAC name of 2-(5-formamidopyrazol-1-yl)ethyl formate (CID 14996567) is 2-(5-formamidopyrazol-1-yl)ethyl formate.
What is the SMILES notation for 2-(5-formamidopyrazol-1-yl)ethyl formate?
The canonical SMILES for 2-(5-formamidopyrazol-1-yl)ethyl formate is O=CNc1ccnn1CCOC=O.
What is the InChIKey of 2-(5-formamidopyrazol-1-yl)ethyl formate?
The InChIKey is ADNBFDFIEWMUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c11-5-8-7-1-2-9-10(7)3-4-13-6-12/h1-2,5-6H,3-4H2,(H,8,11).
What are the key properties of 2-(5-formamidopyrazol-1-yl)ethyl formate?
2-(5-formamidopyrazol-1-yl)ethyl formate has a molecular weight of 183.17 g/mol, XLogP of -0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formamidopyrazol-1-yl)ethyl formate is sourced from PubChem (CID 14996567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).