2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol

C13H18N4O — CID 113446377

IUPAC2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNc1nccn2nccc12
InChIInChI=1S/C13H18N4O/c18-12-4-2-1-3-10(12)9-15-13-11-5-6-16-17(11)8-7-14-13/h5-8,10,12,18H,1-4,9H2,(H,14,15)
InChIKeyCMFAYZCKGLIOCO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.69
Rot. Bonds3

About 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol

2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol (PubChem CID 113446377) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
PubChem CID113446377
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNc1nccn2nccc12
InChIInChI=1S/C13H18N4O/c18-12-4-2-1-3-10(12)9-15-13-11-5-6-16-17(11)8-7-14-13/h5-8,10,12,18H,1-4,9H2,(H,14,15)
InChIKeyCMFAYZCKGLIOCO-UHFFFAOYSA-N
XLogP1.69
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
CID 106129764
N-(2-bicyclo[2.2.1]heptanylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731485
N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732763
1-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclopentan-1-ol
CID 113446380
3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile
CID 64911460
cis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 170278821
N-[(1-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 103353997
N-(1-cyclopentylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446364
2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 103888779
N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine
CID 104732428
N-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734256
N-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 107173671

Frequently Asked Questions

What is the IUPAC name of 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol (CID 113446377) is 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol is OC1CCCCC1CNc1nccn2nccc12.
What is the InChIKey of 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is CMFAYZCKGLIOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-12-4-2-1-3-10(12)9-15-13-11-5-6-16-17(11)8-7-14-13/h5-8,10,12,18H,1-4,9H2,(H,14,15).
What are the key properties of 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol?
2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 113446377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).