(2,5-difluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone

C19H21F2N3O2 — CID 91915293

IUPAC(2,5-difluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1nc(C2CCN(C(=O)c3cc(F)ccc3F)CC2)c2c1CCOC2
InChIInChI=1S/C19H21F2N3O2/c1-23-17-6-9-26-11-15(17)18(22-23)12-4-7-24(8-5-12)19(25)14-10-13(20)2-3-16(14)21/h2-3,10,12H,4-9,11H2,1H3
InChIKeyNKPDJZKGXZAREZ-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.79
Rot. Bonds2

About (2,5-difluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone

(2,5-difluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 91915293) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID91915293
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name(2,5-difluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1nc(C2CCN(C(=O)c3cc(F)ccc3F)CC2)c2c1CCOC2
InChIInChI=1S/C19H21F2N3O2/c1-23-17-6-9-26-11-15(17)18(22-23)12-4-7-24(8-5-12)19(25)14-10-13(20)2-3-16(14)21/h2-3,10,12H,4-9,11H2,1H3
InChIKeyNKPDJZKGXZAREZ-UHFFFAOYSA-N
XLogP2.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone (CID 91915293) is (2,5-difluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone is Cn1nc(C2CCN(C(=O)c3cc(F)ccc3F)CC2)c2c1CCOC2.
What is the InChIKey of (2,5-difluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is NKPDJZKGXZAREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-23-17-6-9-26-11-15(17)18(22-23)12-4-7-24(8-5-12)19(25)14-10-13(20)2-3-16(14)21/h2-3,10,12H,4-9,11H2,1H3.
What are the key properties of (2,5-difluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone?
(2,5-difluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 361.39 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91915293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).