2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]acetonitrile

C12H10N6 — CID 71253797

IUPAC2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3c(CC#N)[nH]nc3cn2)cn1
InChIInChI=1S/C12H10N6/c1-18-7-8(5-15-18)11-4-9-10(2-3-13)16-17-12(9)6-14-11/h4-7H,2H2,1H3,(H,16,17)
InChIKeyHUNBYHCHGVSBTG-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.42
Rot. Bonds2

About 2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]acetonitrile

2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]acetonitrile (PubChem CID 71253797) has the molecular formula C12H10N6 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]acetonitrile
PubChem CID71253797
Molecular FormulaC12H10N6
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3c(CC#N)[nH]nc3cn2)cn1
InChIInChI=1S/C12H10N6/c1-18-7-8(5-15-18)11-4-9-10(2-3-13)16-17-12(9)6-14-11/h4-7H,2H2,1H3,(H,16,17)
InChIKeyHUNBYHCHGVSBTG-UHFFFAOYSA-N
XLogP1.42
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]acetonitrile (CID 71253797) is 2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]acetonitrile is Cn1cc(-c2cc3c(CC#N)[nH]nc3cn2)cn1.
What is the InChIKey of 2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]acetonitrile?
The InChIKey is HUNBYHCHGVSBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6/c1-18-7-8(5-15-18)11-4-9-10(2-3-13)16-17-12(9)6-14-11/h4-7H,2H2,1H3,(H,16,17).
What are the key properties of 2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]acetonitrile?
2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]acetonitrile has a molecular weight of 238.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 71253797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).