(5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

C19H24FN3O3 — CID 146093381

IUPAC(5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCOCc1ccc(CNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)cc1F
InChIInChI=1S/C19H24FN3O3/c1-11-7-15-17(12(2)26-11)22-23(3)18(15)19(24)21-9-13-5-6-14(10-25-4)16(20)8-13/h5-6,8,11-12H,7,9-10H2,1-4H3,(H,21,24)/t11-,12+/m1/s1
InChIKeyFUIZSMZXKBKUMO-NEPJUHHUSA-N
MW361.42 g/mol
LogP2.66
Rot. Bonds5

About (5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

(5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 146093381) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is (5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID146093381
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name(5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCOCc1ccc(CNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)cc1F
InChIInChI=1S/C19H24FN3O3/c1-11-7-15-17(12(2)26-11)22-23(3)18(15)19(24)21-9-13-5-6-14(10-25-4)16(20)8-13/h5-6,8,11-12H,7,9-10H2,1-4H3,(H,21,24)/t11-,12+/m1/s1
InChIKeyFUIZSMZXKBKUMO-NEPJUHHUSA-N
XLogP2.66
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (CID 146093381) is (5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is COCc1ccc(CNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)cc1F.
What is the InChIKey of (5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is FUIZSMZXKBKUMO-NEPJUHHUSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-11-7-15-17(12(2)26-11)22-23(3)18(15)19(24)21-9-13-5-6-14(10-25-4)16(20)8-13/h5-6,8,11-12H,7,9-10H2,1-4H3,(H,21,24)/t11-,12+/m1/s1.
What are the key properties of (5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
(5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 146093381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).