(5R,7S)-N,5,7-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

C14H18N4O3 — CID 146102658

IUPAC(5R,7S)-N,5,7-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)N(C)Cc3ccon3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C14H18N4O3/c1-8-6-11-12(9(2)21-8)15-16-13(11)14(19)18(3)7-10-4-5-20-17-10/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)/t8-,9+/m1/s1
InChIKeyMNZYHSYAALPJRK-BDAKNGLRSA-N
MW290.32 g/mol
LogP1.69
Rot. Bonds3

About (5R,7S)-N,5,7-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

(5R,7S)-N,5,7-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146102658) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (5R,7S)-N,5,7-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N,5,7-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146102658
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name(5R,7S)-N,5,7-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)N(C)Cc3ccon3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C14H18N4O3/c1-8-6-11-12(9(2)21-8)15-16-13(11)14(19)18(3)7-10-4-5-20-17-10/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)/t8-,9+/m1/s1
InChIKeyMNZYHSYAALPJRK-BDAKNGLRSA-N
XLogP1.69
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R,7S)-N-(furan-3-ylmethyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102535
(5R,7S)-N,5,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115395
(5R,7S)-N-[(4-cyanophenyl)methyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115625
(5S,7R)-N-[(1-ethylpyrrol-2-yl)methyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102982
(5S,7R)-N-[(3,4-dimethoxyphenyl)methyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146104981
(5R,7S)-N-(3-hydroxypropyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146103143
(5R,7S)-N,5,7-trimethyl-N-(2-phenoxyethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115594
(5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115593
(5R,7S)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115299
(5R,7S)-N,N-di(cyclobutyl)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111255
(5R,7S)-N-cyclopropyl-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111229
(5R,7S)-N-benzyl-5,7-dimethyl-N-(2H-triazol-4-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115454

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N,5,7-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N,5,7-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 146102658) is (5R,7S)-N,5,7-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-N,5,7-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N,5,7-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)N(C)Cc3ccon3)n[nH]c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-N,5,7-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is MNZYHSYAALPJRK-BDAKNGLRSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8-6-11-12(9(2)21-8)15-16-13(11)14(19)18(3)7-10-4-5-20-17-10/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)/t8-,9+/m1/s1.
What are the key properties of (5R,7S)-N,5,7-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-N,5,7-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N,5,7-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146102658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).