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

C14H21N3O3 — CID 146115156

IUPAC(5R,7S)-5,7-dimethyl-N-(oxan-4-yl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NC3CCOCC3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C14H21N3O3/c1-8-7-11-12(9(2)20-8)16-17-13(11)14(18)15-10-3-5-19-6-4-10/h8-10H,3-7H2,1-2H3,(H,15,18)(H,16,17)/t8-,9+/m1/s1
InChIKeyNZIGLPZWECRMLK-BDAKNGLRSA-N
MW279.34 g/mol
LogP1.34
Rot. Bonds2

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

(5R,7S)-5,7-dimethyl-N-(oxan-4-yl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146115156) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (5R,7S)-5,7-dimethyl-N-(oxan-4-yl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-5,7-dimethyl-N-(oxan-4-yl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146115156
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(5R,7S)-5,7-dimethyl-N-(oxan-4-yl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NC3CCOCC3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C14H21N3O3/c1-8-7-11-12(9(2)20-8)16-17-13(11)14(18)15-10-3-5-19-6-4-10/h8-10H,3-7H2,1-2H3,(H,15,18)(H,16,17)/t8-,9+/m1/s1
InChIKeyNZIGLPZWECRMLK-BDAKNGLRSA-N
XLogP1.34
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 146115592
(5R,7S)-N-(3-cyclopropylprop-2-ynyl)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 154799425
(5R,7S)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146101569
(5R,7S)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146153722
(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-[1-(1,1-difluoroethyl)cyclopropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102167
(5R,7S)-5,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 154802631
(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-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111365
(5R,7S)-5,7-dimethyl-N-(1H-pyrazol-5-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102507
(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
(5R,7S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 154799295

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-5,7-dimethyl-N-(oxan-4-yl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-5,7-dimethyl-N-(oxan-4-yl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 146115156) is (5R,7S)-5,7-dimethyl-N-(oxan-4-yl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-5,7-dimethyl-N-(oxan-4-yl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-5,7-dimethyl-N-(oxan-4-yl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)NC3CCOCC3)n[nH]c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-5,7-dimethyl-N-(oxan-4-yl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is NZIGLPZWECRMLK-BDAKNGLRSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8-7-11-12(9(2)20-8)16-17-13(11)14(18)15-10-3-5-19-6-4-10/h8-10H,3-7H2,1-2H3,(H,15,18)(H,16,17)/t8-,9+/m1/s1.
What are the key properties of (5R,7S)-5,7-dimethyl-N-(oxan-4-yl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-5,7-dimethyl-N-(oxan-4-yl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-5,7-dimethyl-N-(oxan-4-yl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146115156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).