N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]formamide

C8H10N4O2 — CID 151991359

IUPACN-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]formamide
SMILESCOCCn1ncc(C#N)c1NC=O
InChIInChI=1S/C8H10N4O2/c1-14-3-2-12-8(10-6-13)7(4-9)5-11-12/h5-6H,2-3H2,1H3,(H,10,13)
InChIKeyUESUSNFMWOBWIK-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.03
Rot. Bonds5

About N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]formamide

N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]formamide (PubChem CID 151991359) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]formamide.

Molecular Properties

Compound NameN-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]formamide
PubChem CID151991359
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC NameN-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]formamide
SMILESCOCCn1ncc(C#N)c1NC=O
InChIInChI=1S/C8H10N4O2/c1-14-3-2-12-8(10-6-13)7(4-9)5-11-12/h5-6H,2-3H2,1H3,(H,10,13)
InChIKeyUESUSNFMWOBWIK-UHFFFAOYSA-N
XLogP-0.03
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]formamide?
The IUPAC name of N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]formamide (CID 151991359) is N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]formamide.
What is the SMILES notation for N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]formamide?
The canonical SMILES for N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]formamide is COCCn1ncc(C#N)c1NC=O.
What is the InChIKey of N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]formamide?
The InChIKey is UESUSNFMWOBWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-14-3-2-12-8(10-6-13)7(4-9)5-11-12/h5-6H,2-3H2,1H3,(H,10,13).
What are the key properties of N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]formamide?
N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]formamide has a molecular weight of 194.19 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]formamide is sourced from PubChem (CID 151991359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).