(5R,7S)-N-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

C19H24FN3O3 — CID 146110836

IUPAC(5R,7S)-N-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)N(CCO)Cc3cccc(F)c3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C19H24FN3O3/c1-12-9-16-17(21-22(3)18(16)13(2)26-12)19(25)23(7-8-24)11-14-5-4-6-15(20)10-14/h4-6,10,12-13,24H,7-9,11H2,1-3H3/t12-,13+/m1/s1
InChIKeyQWDGQNGCKMYFSX-OLZOCXBDSA-N
MW361.42 g/mol
LogP2.22
Rot. Bonds5

About (5R,7S)-N-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

(5R,7S)-N-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146110836) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is (5R,7S)-N-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146110836
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name(5R,7S)-N-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)N(CCO)Cc3cccc(F)c3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C19H24FN3O3/c1-12-9-16-17(21-22(3)18(16)13(2)26-12)19(25)23(7-8-24)11-14-5-4-6-15(20)10-14/h4-6,10,12-13,24H,7-9,11H2,1-3H3/t12-,13+/m1/s1
InChIKeyQWDGQNGCKMYFSX-OLZOCXBDSA-N
XLogP2.22
TPSA67.59 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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (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) is (5R,7S)-N-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-N-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)N(CCO)Cc3cccc(F)c3)nn(C)c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-N-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is QWDGQNGCKMYFSX-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-12-9-16-17(21-22(3)18(16)13(2)26-12)19(25)23(7-8-24)11-14-5-4-6-15(20)10-14/h4-6,10,12-13,24H,7-9,11H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of (5R,7S)-N-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-N-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 2.22, 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-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146110836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).