1-((1-Methylpiperidin-4-yl)methyl)-1H-pyrazol-4-ol

C10H17N3O — CID 117124738

IUPAC1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-ol
SMILESCN1CCC(CC1)CN2C=C(C=N2)O
InChIInChI=1S/C10H17N3O/c1-12-4-2-9(3-5-12)7-13-8-10(14)6-11-13/h6,8-9,14H,2-5,7H2,1H3
InChIKeyADNBDHMNZNBPMS-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.60
Rot. Bonds2

About 1-((1-Methylpiperidin-4-yl)methyl)-1H-pyrazol-4-ol

1-((1-Methylpiperidin-4-yl)methyl)-1H-pyrazol-4-ol (PubChem CID 117124738) has the molecular formula C10H17N3O and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-((1-Methylpiperidin-4-yl)methyl)-1H-pyrazol-4-ol
PubChem CID117124738
Molecular FormulaC10H17N3O
Molecular Weight195.26 g/mol
Exact Mass195.14
IUPAC Name1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-ol
SMILESCN1CCC(CC1)CN2C=C(C=N2)O
InChIInChI=1S/C10H17N3O/c1-12-4-2-9(3-5-12)7-13-8-10(14)6-11-13/h6,8-9,14H,2-5,7H2,1H3
InChIKeyADNBDHMNZNBPMS-UHFFFAOYSA-N
XLogP0.60
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity180

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-((1-Methylpiperidin-4-yl)methyl)-1H-pyrazol-4-ol?
The IUPAC name of 1-((1-Methylpiperidin-4-yl)methyl)-1H-pyrazol-4-ol (CID 117124738) is 1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-ol.
What is the SMILES notation for 1-((1-Methylpiperidin-4-yl)methyl)-1H-pyrazol-4-ol?
The canonical SMILES for 1-((1-Methylpiperidin-4-yl)methyl)-1H-pyrazol-4-ol is CN1CCC(CC1)CN2C=C(C=N2)O.
What is the InChIKey of 1-((1-Methylpiperidin-4-yl)methyl)-1H-pyrazol-4-ol?
The InChIKey is ADNBDHMNZNBPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-12-4-2-9(3-5-12)7-13-8-10(14)6-11-13/h6,8-9,14H,2-5,7H2,1H3.
What are the key properties of 1-((1-Methylpiperidin-4-yl)methyl)-1H-pyrazol-4-ol?
1-((1-Methylpiperidin-4-yl)methyl)-1H-pyrazol-4-ol has a molecular weight of 195.26 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-((1-Methylpiperidin-4-yl)methyl)-1H-pyrazol-4-ol is sourced from PubChem (CID 117124738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).