1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one

C19H26N4O — CID 56778980

IUPAC1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCc1cc(C)n(CC2CCCCN2C(=O)CCc2ccncc2)n1
InChIInChI=1S/C19H26N4O/c1-15-13-16(2)23(21-15)14-18-5-3-4-12-22(18)19(24)7-6-17-8-10-20-11-9-17/h8-11,13,18H,3-7,12,14H2,1-2H3
InChIKeyDCLWQVQTCOYVIO-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.91
Rot. Bonds5

About 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one

1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 56778980) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID56778980
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCc1cc(C)n(CC2CCCCN2C(=O)CCc2ccncc2)n1
InChIInChI=1S/C19H26N4O/c1-15-13-16(2)23(21-15)14-18-5-3-4-12-22(18)19(24)7-6-17-8-10-20-11-9-17/h8-11,13,18H,3-7,12,14H2,1-2H3
InChIKeyDCLWQVQTCOYVIO-UHFFFAOYSA-N
XLogP2.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one (CID 56778980) is 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one is Cc1cc(C)n(CC2CCCCN2C(=O)CCc2ccncc2)n1.
What is the InChIKey of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is DCLWQVQTCOYVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-13-16(2)23(21-15)14-18-5-3-4-12-22(18)19(24)7-6-17-8-10-20-11-9-17/h8-11,13,18H,3-7,12,14H2,1-2H3.
What are the key properties of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 326.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 56778980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).