2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol

C13H23N3O — CID 64927671

IUPAC2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1n[nH]c(C)c1CNCC1CCCCC1O
InChIInChI=1S/C13H23N3O/c1-9-12(10(2)16-15-9)8-14-7-11-5-3-4-6-13(11)17/h11,13-14,17H,3-8H2,1-2H3,(H,15,16)
InChIKeyQODCIJAGIIEKCP-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.67
Rot. Bonds4

About 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol

2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 64927671) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID64927671
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1n[nH]c(C)c1CNCC1CCCCC1O
InChIInChI=1S/C13H23N3O/c1-9-12(10(2)16-15-9)8-14-7-11-5-3-4-6-13(11)17/h11,13-14,17H,3-8H2,1-2H3,(H,15,16)
InChIKeyQODCIJAGIIEKCP-UHFFFAOYSA-N
XLogP1.67
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 12978503
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxycyclohexyl)acetamide
CID 55064029
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414647
2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927033
2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926870
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 43644720
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide
CID 119044630
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
tert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103947994
1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 63897394
2-[[(2,3,6-trichlorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 79025608
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129333757

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol (CID 64927671) is 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol is Cc1n[nH]c(C)c1CNCC1CCCCC1O.
What is the InChIKey of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is QODCIJAGIIEKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9-12(10(2)16-15-9)8-14-7-11-5-3-4-6-13(11)17/h11,13-14,17H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64927671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).