2-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol

C18H31N3O — CID 128993951

IUPAC2-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCC(C)Cn1cc(CN2CCCC2C2CCCCC2O)cn1
InChIInChI=1S/C18H31N3O/c1-14(2)11-21-13-15(10-19-21)12-20-9-5-7-17(20)16-6-3-4-8-18(16)22/h10,13-14,16-18,22H,3-9,11-12H2,1-2H3
InChIKeyDNRHGOMEDGTOBT-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.05
Rot. Bonds5

About 2-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 128993951) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID128993951
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name2-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCC(C)Cn1cc(CN2CCCC2C2CCCCC2O)cn1
InChIInChI=1S/C18H31N3O/c1-14(2)11-21-13-15(10-19-21)12-20-9-5-7-17(20)16-6-3-4-8-18(16)22/h10,13-14,16-18,22H,3-9,11-12H2,1-2H3
InChIKeyDNRHGOMEDGTOBT-UHFFFAOYSA-N
XLogP3.05
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129352503
1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 122041195
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339702
2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339739
2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339595
2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339317
2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339118
2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339630
1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338918
[1-(2-methylpropyl)pyrazol-4-yl]methanol
CID 62729998
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 105412100
(2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 97158796

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 128993951) is 2-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol is CC(C)Cn1cc(CN2CCCC2C2CCCCC2O)cn1.
What is the InChIKey of 2-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is DNRHGOMEDGTOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-14(2)11-21-13-15(10-19-21)12-20-9-5-7-17(20)16-6-3-4-8-18(16)22/h10,13-14,16-18,22H,3-9,11-12H2,1-2H3.
What are the key properties of 2-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 305.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 128993951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).