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

C14H19F2N3O2 — CID 146101839

IUPAC(5R,7S)-N-(3,3-difluorocyclobutyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)N(C)C3CC(F)(F)C3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C14H19F2N3O2/c1-7-4-10-11(8(2)21-7)17-18-12(10)13(20)19(3)9-5-14(15,16)6-9/h7-9H,4-6H2,1-3H3,(H,17,18)/t7-,8+/m1/s1
InChIKeyPIIFMUTTXGWICQ-SFYZADRCSA-N
MW299.32 g/mol
LogP2.30
Rot. Bonds2

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

(5R,7S)-N-(3,3-difluorocyclobutyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146101839) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is (5R,7S)-N-(3,3-difluorocyclobutyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N-(3,3-difluorocyclobutyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146101839
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name(5R,7S)-N-(3,3-difluorocyclobutyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)N(C)C3CC(F)(F)C3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C14H19F2N3O2/c1-7-4-10-11(8(2)21-7)17-18-12(10)13(20)19(3)9-5-14(15,16)6-9/h7-9H,4-6H2,1-3H3,(H,17,18)/t7-,8+/m1/s1
InChIKeyPIIFMUTTXGWICQ-SFYZADRCSA-N
XLogP2.30
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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-cycloheptyl-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115231
(5R,7S)-N,N-di(cyclobutyl)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111255
(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-(3-hydroxypropyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146103143
(5R,7S)-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111365
(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-[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111593
(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-(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-(1,2-oxazol-3-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102658
(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

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N-(3,3-difluorocyclobutyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N-(3,3-difluorocyclobutyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 146101839) is (5R,7S)-N-(3,3-difluorocyclobutyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-N-(3,3-difluorocyclobutyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N-(3,3-difluorocyclobutyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)N(C)C3CC(F)(F)C3)n[nH]c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-N-(3,3-difluorocyclobutyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is PIIFMUTTXGWICQ-SFYZADRCSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-7-4-10-11(8(2)21-7)17-18-12(10)13(20)19(3)9-5-14(15,16)6-9/h7-9H,4-6H2,1-3H3,(H,17,18)/t7-,8+/m1/s1.
What are the key properties of (5R,7S)-N-(3,3-difluorocyclobutyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-N-(3,3-difluorocyclobutyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 299.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N-(3,3-difluorocyclobutyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146101839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).