2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile

C14H15N5O — CID 91796024

IUPAC2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(CN2CCn3nc(CO)cc3C2)c1
InChIInChI=1S/C14H15N5O/c15-7-11-1-2-16-12(5-11)8-18-3-4-19-14(9-18)6-13(10-20)17-19/h1-2,5-6,20H,3-4,8-10H2
InChIKeySLEVVQULRIMNGH-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.66
Rot. Bonds3

About 2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile

2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile (PubChem CID 91796024) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile
PubChem CID91796024
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(CN2CCn3nc(CO)cc3C2)c1
InChIInChI=1S/C14H15N5O/c15-7-11-1-2-16-12(5-11)8-18-3-4-19-14(9-18)6-13(10-20)17-19/h1-2,5-6,20H,3-4,8-10H2
InChIKeySLEVVQULRIMNGH-UHFFFAOYSA-N
XLogP0.66
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile with MolForge

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Related Compounds

(5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol
CID 91790243
N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118787439
[5-[(4-cyclopentyloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 91767699
[5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 91767903
[5-[(2-fluoro-5-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 90648502
[5-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 91774085
N-[[5-[(4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 121495415
[5-(2-phenylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 91761102
[5-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 90649431
[5-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 91777533
2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol
CID 118775943
5-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1-methylpyrrole-3-carbonitrile
CID 91787896

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile (CID 91796024) is 2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile is N#Cc1ccnc(CN2CCn3nc(CO)cc3C2)c1.
What is the InChIKey of 2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile?
The InChIKey is SLEVVQULRIMNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-7-11-1-2-16-12(5-11)8-18-3-4-19-14(9-18)6-13(10-20)17-19/h1-2,5-6,20H,3-4,8-10H2.
What are the key properties of 2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile?
2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile has a molecular weight of 269.31 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile is sourced from PubChem (CID 91796024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).