[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol

C13H23N3O — CID 115092392

IUPAC[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol
SMILESCC(C)N1CCC(Cc2cc(CO)[nH]n2)CC1
InChIInChI=1S/C13H23N3O/c1-10(2)16-5-3-11(4-6-16)7-12-8-13(9-17)15-14-12/h8,10-11,17H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyBJUABYKLGWHHHK-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.56
Rot. Bonds4

About [3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol

[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol (PubChem CID 115092392) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol
PubChem CID115092392
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol
SMILESCC(C)N1CCC(Cc2cc(CO)[nH]n2)CC1
InChIInChI=1S/C13H23N3O/c1-10(2)16-5-3-11(4-6-16)7-12-8-13(9-17)15-14-12/h8,10-11,17H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyBJUABYKLGWHHHK-UHFFFAOYSA-N
XLogP1.56
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazol-5-yl]methanol
CID 115092302
[3-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-5-yl]methanol
CID 115092826
1-[2-[3-[2-[4,7-di(propan-2-yl)-1,4,7-triazonan-1-yl]ethyl]-1H-pyrazol-5-yl]ethyl]-4,7-di(propan-2-yl)-1,4,7-triazonane
CID 101205585
4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine
CID 175661191
6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine
CID 117105486
3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine
CID 117105492
4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide
CID 11210868
[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol
CID 115093890
[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol
CID 115093923
2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine
CID 110102359
2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 117157769
2,2-dimethyl-1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 110101070

Frequently Asked Questions

What is the IUPAC name of [3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol (CID 115092392) is [3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol is CC(C)N1CCC(Cc2cc(CO)[nH]n2)CC1.
What is the InChIKey of [3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol?
The InChIKey is BJUABYKLGWHHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)16-5-3-11(4-6-16)7-12-8-13(9-17)15-14-12/h8,10-11,17H,3-7,9H2,1-2H3,(H,14,15).
What are the key properties of [3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol?
[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 115092392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).