1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

C18H30N6O — CID 128979150

IUPAC1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCC(C)Cn1cc(CN2CCCC(O)(c3cn(C(C)C)nn3)C2)cn1
InChIInChI=1S/C18H30N6O/c1-14(2)9-23-11-16(8-19-23)10-22-7-5-6-18(25,13-22)17-12-24(15(3)4)21-20-17/h8,11-12,14-15,25H,5-7,9-10,13H2,1-4H3
InChIKeyNHUDFPKOMHHOGW-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.20
Rot. Bonds6

About 1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (PubChem CID 128979150) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
PubChem CID128979150
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCC(C)Cn1cc(CN2CCCC(O)(c3cn(C(C)C)nn3)C2)cn1
InChIInChI=1S/C18H30N6O/c1-14(2)9-23-11-16(8-19-23)10-22-7-5-6-18(25,13-22)17-12-24(15(3)4)21-20-17/h8,11-12,14-15,25H,5-7,9-10,13H2,1-4H3
InChIKeyNHUDFPKOMHHOGW-UHFFFAOYSA-N
XLogP2.20
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol with MolForge

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128969366
(3R)-1-[(3-methylimidazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129486298
(3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129483645
(3R)-1-[(3-methoxyphenyl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129486038
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone
CID 129483607
1-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128979140
(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129483062
1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128980369
(3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129483683
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128979187
(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129484561
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128980356

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The IUPAC name of 1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (CID 128979150) is 1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The canonical SMILES for 1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is CC(C)Cn1cc(CN2CCCC(O)(c3cn(C(C)C)nn3)C2)cn1.
What is the InChIKey of 1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The InChIKey is NHUDFPKOMHHOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O/c1-14(2)9-23-11-16(8-19-23)10-22-7-5-6-18(25,13-22)17-12-24(15(3)4)21-20-17/h8,11-12,14-15,25H,5-7,9-10,13H2,1-4H3.
What are the key properties of 1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol has a molecular weight of 346.48 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 128979150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).