1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide

C12H19N3O2 — CID 51390176

IUPAC1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N[C@H](C)[C@@H]1CCCO1
InChIInChI=1S/C12H19N3O2/c1-8-10(7-15(3)14-8)12(16)13-9(2)11-5-4-6-17-11/h7,9,11H,4-6H2,1-3H3,(H,13,16)/t9-,11+/m1/s1
InChIKeyHAVOIFCYXBSSRI-KOLCDFICSA-N
MW237.30 g/mol
LogP1.03
Rot. Bonds3

About 1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide

1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide (PubChem CID 51390176) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
PubChem CID51390176
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N[C@H](C)[C@@H]1CCCO1
InChIInChI=1S/C12H19N3O2/c1-8-10(7-15(3)14-8)12(16)13-9(2)11-5-4-6-17-11/h7,9,11H,4-6H2,1-3H3,(H,13,16)/t9-,11+/m1/s1
InChIKeyHAVOIFCYXBSSRI-KOLCDFICSA-N
XLogP1.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-nitro-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390109
4-bromo-1-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390227
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 65192062
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-phenyltriazole-4-carboxamide
CID 35243595
1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
CID 35246071
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
2-ethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390415
2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390417
1,3-dimethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 35251975
4-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
CID 6470285
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 35254055

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide (CID 51390176) is 1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)N[C@H](C)[C@@H]1CCCO1.
What is the InChIKey of 1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide?
The InChIKey is HAVOIFCYXBSSRI-KOLCDFICSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-10(7-15(3)14-8)12(16)13-9(2)11-5-4-6-17-11/h7,9,11H,4-6H2,1-3H3,(H,13,16)/t9-,11+/m1/s1.
What are the key properties of 1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide?
1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 51390176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).