2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide

C9H13N3O2 — CID 102548374

IUPAC2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NCC1CO1
InChIInChI=1S/C9H13N3O2/c1-2-12-8(3-4-11-12)9(13)10-5-7-6-14-7/h3-4,7H,2,5-6H2,1H3,(H,10,13)
InChIKeyNGYFIOBOCQSFTN-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.03
Rot. Bonds4

About 2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide

2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 102548374) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID102548374
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NCC1CO1
InChIInChI=1S/C9H13N3O2/c1-2-12-8(3-4-11-12)9(13)10-5-7-6-14-7/h3-4,7H,2,5-6H2,1H3,(H,10,13)
InChIKeyNGYFIOBOCQSFTN-UHFFFAOYSA-N
XLogP0.03
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide
CID 155036093
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 128999502
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19475319
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390417
2-ethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390415
2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide
CID 77084137
N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide
CID 35535097
2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
CID 19475507
3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491922
methyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate
CID 170982661
2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19482640

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide (CID 102548374) is 2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide is CCn1nccc1C(=O)NCC1CO1.
What is the InChIKey of 2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is NGYFIOBOCQSFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-12-8(3-4-11-12)9(13)10-5-7-6-14-7/h3-4,7H,2,5-6H2,1H3,(H,10,13).
What are the key properties of 2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide?
2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 102548374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).