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

C13H18N4O — CID 106129764

IUPAC3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNc2nccn3nccc23)C1
InChIInChI=1S/C13H18N4O/c18-11-3-1-2-10(8-11)9-15-13-12-4-5-16-17(12)7-6-14-13/h4-7,10-11,18H,1-3,8-9H2,(H,14,15)
InChIKeyIKMWRZXQYCHGIZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.69
Rot. Bonds3

About 3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol

3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol (PubChem CID 106129764) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
PubChem CID106129764
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNc2nccn3nccc23)C1
InChIInChI=1S/C13H18N4O/c18-11-3-1-2-10(8-11)9-15-13-12-4-5-16-17(12)7-6-14-13/h4-7,10-11,18H,1-3,8-9H2,(H,14,15)
InChIKeyIKMWRZXQYCHGIZ-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

2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
CID 113446377
N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732763
1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
CID 103931018
N-(2-bicyclo[2.2.1]heptanylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731485
1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
CID 113349523
3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106127769
3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one
CID 106129389
3-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]cyclohexan-1-ol
CID 106137338
N-[(1-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 103353997
1-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclopentan-1-ol
CID 113446380
2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 114148584
N-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733985

Frequently Asked Questions

What is the IUPAC name of 3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol (CID 106129764) is 3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol is OC1CCCC(CNc2nccn3nccc23)C1.
What is the InChIKey of 3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is IKMWRZXQYCHGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-11-3-1-2-10(8-11)9-15-13-12-4-5-16-17(12)7-6-14-13/h4-7,10-11,18H,1-3,8-9H2,(H,14,15).
What are the key properties of 3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol?
3-[(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 3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106129764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).