(5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

C16H25N3O3 — CID 146110793

IUPAC(5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NCC3(CO)CCC3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C16H25N3O3/c1-10-7-12-13(18-19(3)14(12)11(2)22-10)15(21)17-8-16(9-20)5-4-6-16/h10-11,20H,4-9H2,1-3H3,(H,17,21)/t10-,11+/m1/s1
InChIKeyTXKVEOMMSQDLFD-MNOVXSKESA-N
MW307.39 g/mol
LogP1.33
Rot. Bonds4

About (5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

(5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146110793) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146110793
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NCC3(CO)CCC3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C16H25N3O3/c1-10-7-12-13(18-19(3)14(12)11(2)22-10)15(21)17-8-16(9-20)5-4-6-16/h10-11,20H,4-9H2,1-3H3,(H,17,21)/t10-,11+/m1/s1
InChIKeyTXKVEOMMSQDLFD-MNOVXSKESA-N
XLogP1.33
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide with MolForge

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Related Compounds

(5R,7S)-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146110823
(5S,7R)-N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146110950
(5R,7S)-N-[(1-hydroxycyclobutyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100387
4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101443
(5R,7S)-1,5,7-trimethyl-N-[(3-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146113712
(5R,7S)-1-ethyl-N-[1-(2-hydroxyethyl)cyclopentyl]-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146101329
(5S,7R)-1,5,7-trimethyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146101233
(5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146111181
[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146110924
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113294452
(4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101185
(5R,7S)-N-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146110836

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (CID 146110793) is (5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)NCC3(CO)CCC3)nn(C)c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is TXKVEOMMSQDLFD-MNOVXSKESA-N. The full InChI is InChI=1S/C16H25N3O3/c1-10-7-12-13(18-19(3)14(12)11(2)22-10)15(21)17-8-16(9-20)5-4-6-16/h10-11,20H,4-9H2,1-3H3,(H,17,21)/t10-,11+/m1/s1.
What are the key properties of (5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146110793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).