(2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide

C17H22N6O2 — CID 128986031

IUPAC(2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)nn1CCC#N
InChIInChI=1S/C17H22N6O2/c1-12-11-15(21-23(12)9-4-7-18)20-17(24)13-5-3-10-25-16(13)14-6-8-19-22(14)2/h6,8,11,13,16H,3-5,9-10H2,1-2H3,(H,20,21,24)/t13-,16-/m1/s1
InChIKeyOUBVEBHPNBONFQ-CZUORRHYSA-N
MW342.40 g/mol
LogP1.95
Rot. Bonds5

About (2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide

(2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide (PubChem CID 128986031) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
PubChem CID128986031
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)nn1CCC#N
InChIInChI=1S/C17H22N6O2/c1-12-11-15(21-23(12)9-4-7-18)20-17(24)13-5-3-10-25-16(13)14-6-8-19-22(14)2/h6,8,11,13,16H,3-5,9-10H2,1-2H3,(H,20,21,24)/t13-,16-/m1/s1
InChIKeyOUBVEBHPNBONFQ-CZUORRHYSA-N
XLogP1.95
TPSA97.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide
CID 128995921
(2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128987419
(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128985765
(2R,3R)-N-(1-methylpyrazol-4-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 154738421
(3S,4S)-1-benzyl-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylpyrrolidine-3-carboxamide
CID 128986087
(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 129001573
N-(1,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 56725172
(2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128986038
1-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea
CID 97253548
(2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128975623
N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 136534539
(2R,3R)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128984992

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
The IUPAC name of (2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide (CID 128986031) is (2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)nn1CCC#N.
What is the InChIKey of (2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
The InChIKey is OUBVEBHPNBONFQ-CZUORRHYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12-11-15(21-23(12)9-4-7-18)20-17(24)13-5-3-10-25-16(13)14-6-8-19-22(14)2/h6,8,11,13,16H,3-5,9-10H2,1-2H3,(H,20,21,24)/t13-,16-/m1/s1.
What are the key properties of (2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
(2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide is sourced from PubChem (CID 128986031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).