(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

C19H24N4O3 — CID 146111229

IUPAC(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
SMILESC[C@@H]1Cc2c(C(=O)N(Cc3cc(C4CC4)on3)C3CC3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C19H24N4O3/c1-10-7-15-17(11(2)25-10)20-21-18(15)19(24)23(14-5-6-14)9-13-8-16(26-22-13)12-3-4-12/h8,10-12,14H,3-7,9H2,1-2H3,(H,20,21)/t10-,11+/m1/s1
InChIKeyLMXCZSOWHMXGTR-MNOVXSKESA-N
MW356.43 g/mol
LogP3.10
Rot. Bonds5

About (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

(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 (PubChem CID 146111229) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146111229
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(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
SMILESC[C@@H]1Cc2c(C(=O)N(Cc3cc(C4CC4)on3)C3CC3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C19H24N4O3/c1-10-7-15-17(11(2)25-10)20-21-18(15)19(24)23(14-5-6-14)9-13-8-16(26-22-13)12-3-4-12/h8,10-12,14H,3-7,9H2,1-2H3,(H,20,21)/t10-,11+/m1/s1
InChIKeyLMXCZSOWHMXGTR-MNOVXSKESA-N
XLogP3.10
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R,7S)-N,N-di(cyclobutyl)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111255
(5S,7R)-N-but-2-ynyl-N-cyclopentyl-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115321
(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
(5R,7S)-N-cycloheptyl-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115231
(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-(4,4-dimethylcyclohexyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102997
(5R,7S)-N-(3,3-difluorocyclobutyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146101839
(5S,7R)-N-[(3,4-dimethoxyphenyl)methyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146104981
(5S,7R)-5,7-dimethyl-N-(2-methylpropyl)-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115242
(5R,7S)-N-[(4-cyanophenyl)methyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115625
(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-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111564

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1Cc2c(C(=O)N(Cc3cc(C4CC4)on3)C3CC3)n[nH]c2[C@H](C)O1.
What is the InChIKey of (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?
The InChIKey is LMXCZSOWHMXGTR-MNOVXSKESA-N. The full InChI is InChI=1S/C19H24N4O3/c1-10-7-15-17(11(2)25-10)20-21-18(15)19(24)23(14-5-6-14)9-13-8-16(26-22-13)12-3-4-12/h8,10-12,14H,3-7,9H2,1-2H3,(H,20,21)/t10-,11+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 356.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146111229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).