1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol

C13H24N4O — CID 103078617

IUPAC1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2nn(C)cc2N)CC1
InChIInChI=1S/C13H24N4O/c1-3-10-4-6-13(18,7-5-10)9-15-12-11(14)8-17(2)16-12/h8,10,18H,3-7,9,14H2,1-2H3,(H,15,16)
InChIKeyRXGYWMATKFITOA-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.75
Rot. Bonds4

About 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol

1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 103078617) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID103078617
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2nn(C)cc2N)CC1
InChIInChI=1S/C13H24N4O/c1-3-10-4-6-13(18,7-5-10)9-15-12-11(14)8-17(2)16-12/h8,10,18H,3-7,9,14H2,1-2H3,(H,15,16)
InChIKeyRXGYWMATKFITOA-UHFFFAOYSA-N
XLogP1.75
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol
CID 103078928
1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 66279334
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80843018
1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol
CID 65116709
3-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol
CID 103078653
1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80648199
4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80843418
1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine
CID 103078529
1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65116944
4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80930969
1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65121903
1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80842262

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 103078617) is 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNc2nn(C)cc2N)CC1.
What is the InChIKey of 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is RXGYWMATKFITOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-10-4-6-13(18,7-5-10)9-15-12-11(14)8-17(2)16-12/h8,10,18H,3-7,9,14H2,1-2H3,(H,15,16).
What are the key properties of 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 103078617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).