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

C19H23N3O2 — CID 91905681

IUPAC[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-phenylmethanone
SMILESCn1nc(C2CCN(C(=O)c3ccccc3)CC2)c2c1CCOC2
InChIInChI=1S/C19H23N3O2/c1-21-17-9-12-24-13-16(17)18(20-21)14-7-10-22(11-8-14)19(23)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3
InChIKeyCQHGRQQVWGQRHY-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.51
Rot. Bonds2

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

[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 91905681) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-phenylmethanone
PubChem CID91905681
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-phenylmethanone
SMILESCn1nc(C2CCN(C(=O)c3ccccc3)CC2)c2c1CCOC2
InChIInChI=1S/C19H23N3O2/c1-21-17-9-12-24-13-16(17)18(20-21)14-7-10-22(11-8-14)19(23)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3
InChIKeyCQHGRQQVWGQRHY-UHFFFAOYSA-N
XLogP2.51
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-phenylmethanone (CID 91905681) is [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-phenylmethanone is Cn1nc(C2CCN(C(=O)c3ccccc3)CC2)c2c1CCOC2.
What is the InChIKey of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-phenylmethanone?
The InChIKey is CQHGRQQVWGQRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21-17-9-12-24-13-16(17)18(20-21)14-7-10-22(11-8-14)19(23)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3.
What are the key properties of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-phenylmethanone?
[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-phenylmethanone has a molecular weight of 325.41 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 91905681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).