4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol

C12H21N3O — CID 79579556

IUPAC4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCc1c(CNC2CCC(O)CC2)cnn1C
InChIInChI=1S/C12H21N3O/c1-9-10(8-14-15(9)2)7-13-11-3-5-12(16)6-4-11/h8,11-13,16H,3-7H2,1-2H3
InChIKeyKXDIYUPOGXCRNY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.12
Rot. Bonds3

About 4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol

4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol (PubChem CID 79579556) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
PubChem CID79579556
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCc1c(CNC2CCC(O)CC2)cnn1C
InChIInChI=1S/C12H21N3O/c1-9-10(8-14-15(9)2)7-13-11-3-5-12(16)6-4-11/h8,11-13,16H,3-7H2,1-2H3
InChIKeyKXDIYUPOGXCRNY-UHFFFAOYSA-N
XLogP1.12
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 102795070
1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 79578467
4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine
CID 103859312
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 79578518
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 43663529
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 115977863
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine
CID 79578616
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanamine
CID 115702967
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 75515471
3-[(1,5-dimethylpyrazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 79596652
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 103905336
tert-butyl N-[(1S,3S)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexyl]carbamate
CID 99630915

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol (CID 79579556) is 4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol is Cc1c(CNC2CCC(O)CC2)cnn1C.
What is the InChIKey of 4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The InChIKey is KXDIYUPOGXCRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-10(8-14-15(9)2)7-13-11-3-5-12(16)6-4-11/h8,11-13,16H,3-7H2,1-2H3.
What are the key properties of 4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 79579556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).