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

C20H24FN3O2 — CID 146093400

IUPAC(5R,7S)-N-[(4-cyclopropyl-2-fluorophenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)NCc2ccc(C3CC3)cc2F)[C@H](C)O1
InChIInChI=1S/C20H24FN3O2/c1-11-8-16-18(12(2)26-11)23-24(3)19(16)20(25)22-10-15-7-6-14(9-17(15)21)13-4-5-13/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,22,25)/t11-,12+/m1/s1
InChIKeyJEXJPGXFTYQBPX-NEPJUHHUSA-N
MW357.43 g/mol
LogP3.39
Rot. Bonds4

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

(5R,7S)-N-[(4-cyclopropyl-2-fluorophenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 146093400) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is (5R,7S)-N-[(4-cyclopropyl-2-fluorophenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N-[(4-cyclopropyl-2-fluorophenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID146093400
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name(5R,7S)-N-[(4-cyclopropyl-2-fluorophenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)NCc2ccc(C3CC3)cc2F)[C@H](C)O1
InChIInChI=1S/C20H24FN3O2/c1-11-8-16-18(12(2)26-11)23-24(3)19(16)20(25)22-10-15-7-6-14(9-17(15)21)13-4-5-13/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,22,25)/t11-,12+/m1/s1
InChIKeyJEXJPGXFTYQBPX-NEPJUHHUSA-N
XLogP3.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N-[(4-cyclopropyl-2-fluorophenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N-[(4-cyclopropyl-2-fluorophenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (CID 146093400) is (5R,7S)-N-[(4-cyclopropyl-2-fluorophenyl)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-[(4-cyclopropyl-2-fluorophenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N-[(4-cyclopropyl-2-fluorophenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is C[C@@H]1Cc2c(nn(C)c2C(=O)NCc2ccc(C3CC3)cc2F)[C@H](C)O1.
What is the InChIKey of (5R,7S)-N-[(4-cyclopropyl-2-fluorophenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is JEXJPGXFTYQBPX-NEPJUHHUSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-11-8-16-18(12(2)26-11)23-24(3)19(16)20(25)22-10-15-7-6-14(9-17(15)21)13-4-5-13/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,22,25)/t11-,12+/m1/s1.
What are the key properties of (5R,7S)-N-[(4-cyclopropyl-2-fluorophenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
(5R,7S)-N-[(4-cyclopropyl-2-fluorophenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N-[(4-cyclopropyl-2-fluorophenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 146093400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).