(3S,4R)-4-[5-(4-chlorophenyl)pyrazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol

C19H18ClN3O2 — CID 44564252

IUPAC(3S,4R)-4-[5-(4-chlorophenyl)pyrazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol
SMILESCC1(C)Oc2ccncc2[C@@H](n2nccc2-c2ccc(Cl)cc2)[C@@H]1O
InChIInChI=1S/C19H18ClN3O2/c1-19(2)18(24)17(14-11-21-9-8-16(14)25-19)23-15(7-10-22-23)12-3-5-13(20)6-4-12/h3-11,17-18,24H,1-2H3/t17-,18+/m1/s1
InChIKeyIXZUJHOFVXCRRK-MSOLQXFVSA-N
MW355.83 g/mol
LogP3.72
Rot. Bonds2

About (3S,4R)-4-[5-(4-chlorophenyl)pyrazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol

(3S,4R)-4-[5-(4-chlorophenyl)pyrazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol (PubChem CID 44564252) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is (3S,4R)-4-[5-(4-chlorophenyl)pyrazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[5-(4-chlorophenyl)pyrazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol
PubChem CID44564252
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name(3S,4R)-4-[5-(4-chlorophenyl)pyrazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol
SMILESCC1(C)Oc2ccncc2[C@@H](n2nccc2-c2ccc(Cl)cc2)[C@@H]1O
InChIInChI=1S/C19H18ClN3O2/c1-19(2)18(24)17(14-11-21-9-8-16(14)25-19)23-15(7-10-22-23)12-3-5-13(20)6-4-12/h3-11,17-18,24H,1-2H3/t17-,18+/m1/s1
InChIKeyIXZUJHOFVXCRRK-MSOLQXFVSA-N
XLogP3.72
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[5-(4-chlorophenyl)pyrazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol?
The IUPAC name of (3S,4R)-4-[5-(4-chlorophenyl)pyrazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol (CID 44564252) is (3S,4R)-4-[5-(4-chlorophenyl)pyrazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol.
What is the SMILES notation for (3S,4R)-4-[5-(4-chlorophenyl)pyrazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol?
The canonical SMILES for (3S,4R)-4-[5-(4-chlorophenyl)pyrazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol is CC1(C)Oc2ccncc2[C@@H](n2nccc2-c2ccc(Cl)cc2)[C@@H]1O.
What is the InChIKey of (3S,4R)-4-[5-(4-chlorophenyl)pyrazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol?
The InChIKey is IXZUJHOFVXCRRK-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-19(2)18(24)17(14-11-21-9-8-16(14)25-19)23-15(7-10-22-23)12-3-5-13(20)6-4-12/h3-11,17-18,24H,1-2H3/t17-,18+/m1/s1.
What are the key properties of (3S,4R)-4-[5-(4-chlorophenyl)pyrazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol?
(3S,4R)-4-[5-(4-chlorophenyl)pyrazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol has a molecular weight of 355.83 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[5-(4-chlorophenyl)pyrazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol is sourced from PubChem (CID 44564252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).