2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile

C10H9N5O — CID 121213349

IUPAC2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile
SMILESN#CCn1cc(CO)c(-c2cnccn2)n1
InChIInChI=1S/C10H9N5O/c11-1-4-15-6-8(7-16)10(14-15)9-5-12-2-3-13-9/h2-3,5-6,16H,4,7H2
InChIKeyKZMWWOJDGGJLDC-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.36
Rot. Bonds3

About 2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile

2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile (PubChem CID 121213349) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile
PubChem CID121213349
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile
SMILESN#CCn1cc(CO)c(-c2cnccn2)n1
InChIInChI=1S/C10H9N5O/c11-1-4-15-6-8(7-16)10(14-15)9-5-12-2-3-13-9/h2-3,5-6,16H,4,7H2
InChIKeyKZMWWOJDGGJLDC-UHFFFAOYSA-N
XLogP0.36
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-Phenyl-3-pyridin-3-yl-1H-pyrazol-4-yl)-methanol
CID 740179
Pyrazolo[1,5-a]pyridin-4-ylmethanol
CID 11094777
[5-(Pyridin-3-ylmethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl]methanol
CID 97413546
2-(1-(1-Methylethyl)-1H-pyrazol-5-yl)-3-pyridinemethanol
CID 89654758
(1-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl)methanol
CID 39095883
[3-[(1,5-Dimethylpyrazol-4-yl)methylamino]-4-pyridinyl]methanol
CID 84595093
(R)-(1,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanol
CID 125180983
(2-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)pyridin-3-yl)methanol
CID 86690725
(2-(1-(3,3,3-trifluoropropyl)-1H-pyrazol-5-yl)pyridin-3-yl)methanol
CID 86690730
2-[5-[4,5-Bis(ethenyl)pyrazol-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 123362254
[2-(4-Fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanol
CID 132251674
[4-Fluoro-2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methanol
CID 132251702

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile?
The IUPAC name of 2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile (CID 121213349) is 2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile is N#CCn1cc(CO)c(-c2cnccn2)n1.
What is the InChIKey of 2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile?
The InChIKey is KZMWWOJDGGJLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c11-1-4-15-6-8(7-16)10(14-15)9-5-12-2-3-13-9/h2-3,5-6,16H,4,7H2.
What are the key properties of 2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile?
2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile has a molecular weight of 215.22 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile is sourced from PubChem (CID 121213349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).