(5R,7S)-1-ethyl-5,7-dimethyl-N-(1,3-oxazol-4-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

C15H20N4O3 — CID 146101223

IUPAC(5R,7S)-1-ethyl-5,7-dimethyl-N-(1,3-oxazol-4-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2cocn2)c2c1[C@H](C)O[C@H](C)C2
InChIInChI=1S/C15H20N4O3/c1-4-19-14-10(3)22-9(2)5-12(14)13(18-19)15(20)16-6-11-7-21-8-17-11/h7-10H,4-6H2,1-3H3,(H,16,20)/t9-,10+/m1/s1
InChIKeyFAKRQYRTCXIUQB-ZJUUUORDSA-N
MW304.35 g/mol
LogP1.84
Rot. Bonds4

About (5R,7S)-1-ethyl-5,7-dimethyl-N-(1,3-oxazol-4-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

(5R,7S)-1-ethyl-5,7-dimethyl-N-(1,3-oxazol-4-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146101223) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (5R,7S)-1-ethyl-5,7-dimethyl-N-(1,3-oxazol-4-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-1-ethyl-5,7-dimethyl-N-(1,3-oxazol-4-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146101223
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(5R,7S)-1-ethyl-5,7-dimethyl-N-(1,3-oxazol-4-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2cocn2)c2c1[C@H](C)O[C@H](C)C2
InChIInChI=1S/C15H20N4O3/c1-4-19-14-10(3)22-9(2)5-12(14)13(18-19)15(20)16-6-11-7-21-8-17-11/h7-10H,4-6H2,1-3H3,(H,16,20)/t9-,10+/m1/s1
InChIKeyFAKRQYRTCXIUQB-ZJUUUORDSA-N
XLogP1.84
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R,7S)-1-ethyl-5,7-dimethyl-N-(1,3-oxazol-4-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide with MolForge

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Related Compounds

(5R,7S)-1-ethyl-N-(2-hydroxyspiro[3.3]heptan-6-yl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146111222
(5R,7S)-1-ethyl-N-[1-(2-hydroxyethyl)cyclopentyl]-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146101329
[4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111055
(5S,7R)-N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146110950
1,5,2-dioxazepan-2-yl-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111099
(5R,7S)-1,5,7-trimethyl-N-[(3-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146113712
(5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146113637
[4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101395
(5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146110932
(5R,7S)-1,5,7-trimethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146113494
4-methoxy-N-(1,3-oxazol-4-ylmethyl)benzamide
CID 110718902
1-(1,3-oxazol-4-ylmethyl)-3-propylurea
CID 110747870

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-1-ethyl-5,7-dimethyl-N-(1,3-oxazol-4-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-1-ethyl-5,7-dimethyl-N-(1,3-oxazol-4-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (CID 146101223) is (5R,7S)-1-ethyl-5,7-dimethyl-N-(1,3-oxazol-4-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-1-ethyl-5,7-dimethyl-N-(1,3-oxazol-4-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-1-ethyl-5,7-dimethyl-N-(1,3-oxazol-4-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is CCn1nc(C(=O)NCc2cocn2)c2c1[C@H](C)O[C@H](C)C2.
What is the InChIKey of (5R,7S)-1-ethyl-5,7-dimethyl-N-(1,3-oxazol-4-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is FAKRQYRTCXIUQB-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-4-19-14-10(3)22-9(2)5-12(14)13(18-19)15(20)16-6-11-7-21-8-17-11/h7-10H,4-6H2,1-3H3,(H,16,20)/t9-,10+/m1/s1.
What are the key properties of (5R,7S)-1-ethyl-5,7-dimethyl-N-(1,3-oxazol-4-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-1-ethyl-5,7-dimethyl-N-(1,3-oxazol-4-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-1-ethyl-5,7-dimethyl-N-(1,3-oxazol-4-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146101223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).