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

C19H22FN3O2 — CID 91915288

IUPAC(2-fluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1nc(C2CCN(C(=O)c3ccccc3F)CC2)c2c1CCOC2
InChIInChI=1S/C19H22FN3O2/c1-22-17-8-11-25-12-15(17)18(21-22)13-6-9-23(10-7-13)19(24)14-4-2-3-5-16(14)20/h2-5,13H,6-12H2,1H3
InChIKeyTXKNVPQNBUSCDY-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.65
Rot. Bonds2

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

(2-fluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 91915288) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID91915288
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name(2-fluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1nc(C2CCN(C(=O)c3ccccc3F)CC2)c2c1CCOC2
InChIInChI=1S/C19H22FN3O2/c1-22-17-8-11-25-12-15(17)18(21-22)13-6-9-23(10-7-13)19(24)14-4-2-3-5-16(14)20/h2-5,13H,6-12H2,1H3
InChIKeyTXKNVPQNBUSCDY-UHFFFAOYSA-N
XLogP2.65
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone (CID 91915288) is (2-fluorophenyl)-[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-fluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone is Cn1nc(C2CCN(C(=O)c3ccccc3F)CC2)c2c1CCOC2.
What is the InChIKey of (2-fluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is TXKNVPQNBUSCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-22-17-8-11-25-12-15(17)18(21-22)13-6-9-23(10-7-13)19(24)14-4-2-3-5-16(14)20/h2-5,13H,6-12H2,1H3.
What are the key properties of (2-fluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 343.40 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91915288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).