(5R,7S)-N-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

C14H19F2N3O2 — CID 146102167

IUPAC(5R,7S)-N-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NC3(C(C)(F)F)CC3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C14H19F2N3O2/c1-7-6-9-10(8(2)21-7)18-19-11(9)12(20)17-14(4-5-14)13(3,15)16/h7-8H,4-6H2,1-3H3,(H,17,20)(H,18,19)/t7-,8+/m1/s1
InChIKeyWUCGQUZOWXRIQC-SFYZADRCSA-N
MW299.32 g/mol
LogP2.35
Rot. Bonds3

About (5R,7S)-N-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

(5R,7S)-N-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146102167) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is (5R,7S)-N-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146102167
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name(5R,7S)-N-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NC3(C(C)(F)F)CC3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C14H19F2N3O2/c1-7-6-9-10(8(2)21-7)18-19-11(9)12(20)17-14(4-5-14)13(3,15)16/h7-8H,4-6H2,1-3H3,(H,17,20)(H,18,19)/t7-,8+/m1/s1
InChIKeyWUCGQUZOWXRIQC-SFYZADRCSA-N
XLogP2.35
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 146102167) is (5R,7S)-N-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-N-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)NC3(C(C)(F)F)CC3)n[nH]c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-N-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is WUCGQUZOWXRIQC-SFYZADRCSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-7-6-9-10(8(2)21-7)18-19-11(9)12(20)17-14(4-5-14)13(3,15)16/h7-8H,4-6H2,1-3H3,(H,17,20)(H,18,19)/t7-,8+/m1/s1.
What are the key properties of (5R,7S)-N-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-N-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 299.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146102167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).