2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide

C12H19N3O2 — CID 51390417

IUPAC2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N[C@@H](C)[C@@H]1CCCO1
InChIInChI=1S/C12H19N3O2/c1-3-15-10(6-7-13-15)12(16)14-9(2)11-5-4-8-17-11/h6-7,9,11H,3-5,8H2,1-2H3,(H,14,16)/t9-,11-/m0/s1
InChIKeyHUQDQGRNQQABOY-ONGXEEELSA-N
MW237.30 g/mol
LogP1.20
Rot. Bonds4

About 2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide

2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide (PubChem CID 51390417) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
PubChem CID51390417
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N[C@@H](C)[C@@H]1CCCO1
InChIInChI=1S/C12H19N3O2/c1-3-15-10(6-7-13-15)12(16)14-9(2)11-5-4-8-17-11/h6-7,9,11H,3-5,8H2,1-2H3,(H,14,16)/t9-,11-/m0/s1
InChIKeyHUQDQGRNQQABOY-ONGXEEELSA-N
XLogP1.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390415
1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide
CID 51390208
4-bromo-1-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390227
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-ethylpyrazole-3-carboxamide
CID 98472822
1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
CID 35246071
4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide
CID 43643692
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
CID 51390176
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
methyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate
CID 170982661
2-ethoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyridine-3-carboxamide
CID 35250402
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide (CID 51390417) is 2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide is CCn1nccc1C(=O)N[C@@H](C)[C@@H]1CCCO1.
What is the InChIKey of 2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide?
The InChIKey is HUQDQGRNQQABOY-ONGXEEELSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-15-10(6-7-13-15)12(16)14-9(2)11-5-4-8-17-11/h6-7,9,11H,3-5,8H2,1-2H3,(H,14,16)/t9-,11-/m0/s1.
What are the key properties of 2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide?
2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 51390417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).