[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol

C18H25N3O — CID 53193347

IUPAC[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol
SMILESCc1nn(C)cc1CN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C18H25N3O/c1-14-17(12-20(2)19-14)13-21-10-8-16(9-11-21)18(22)15-6-4-3-5-7-15/h3-7,12,16,18,22H,8-11,13H2,1-2H3
InChIKeyQWAAGQSQZDTWCI-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.67
Rot. Bonds4

About [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol

[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol (PubChem CID 53193347) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol
PubChem CID53193347
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol
SMILESCc1nn(C)cc1CN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C18H25N3O/c1-14-17(12-20(2)19-14)13-21-10-8-16(9-11-21)18(22)15-6-4-3-5-7-15/h3-7,12,16,18,22H,8-11,13H2,1-2H3
InChIKeyQWAAGQSQZDTWCI-UHFFFAOYSA-N
XLogP2.67
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 752098
(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CID 2795476
[1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-methoxybenzyl)piperidin-4-yl]methanol
CID 16188468
(R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-pyridin-4-yl-methanol
CID 10452933
1-phenyl-2-(1H-pyrazol-1-yl)ethanol
CID 3245641
[1-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)-4-piperidinyl]methanol
CID 16188178
{4-(4-methoxybenzyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methanol
CID 16190591
2-[4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)-2-piperazinyl]ethanol
CID 16191709
2-[5-(1-Methylpyrrolidin-2-yl)-2-pyridinyl]-1-phenylethanol
CID 44399089
[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanol
CID 73293373
(1,3-Diphenyl-1h-pyrazol-4-yl)-methanol
CID 740175
(1-(4-Methylphenyl)-3-phenyl-1H-pyrazol-4-YL)methanol
CID 3859567

Frequently Asked Questions

What is the IUPAC name of [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol?
The IUPAC name of [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol (CID 53193347) is [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol.
What is the SMILES notation for [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol?
The canonical SMILES for [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol is Cc1nn(C)cc1CN1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol?
The InChIKey is QWAAGQSQZDTWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-17(12-20(2)19-14)13-21-10-8-16(9-11-21)18(22)15-6-4-3-5-7-15/h3-7,12,16,18,22H,8-11,13H2,1-2H3.
What are the key properties of [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol?
[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol has a molecular weight of 299.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol is sourced from PubChem (CID 53193347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).