5-(methylamino)-1-pyridin-3-ylpyrazole-4-carbonitrile

C10H9N5 — CID 164945769

IUPAC5-(methylamino)-1-pyridin-3-ylpyrazole-4-carbonitrile
SMILESCNc1c(C#N)cnn1-c1cccnc1
InChIInChI=1S/C10H9N5/c1-12-10-8(5-11)6-14-15(10)9-3-2-4-13-7-9/h2-4,6-7,12H,1H3
InChIKeyCOSVGILFRRPFCA-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.18
Rot. Bonds2

About 5-(methylamino)-1-pyridin-3-ylpyrazole-4-carbonitrile

5-(methylamino)-1-pyridin-3-ylpyrazole-4-carbonitrile (PubChem CID 164945769) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 5-(methylamino)-1-pyridin-3-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(methylamino)-1-pyridin-3-ylpyrazole-4-carbonitrile
PubChem CID164945769
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name5-(methylamino)-1-pyridin-3-ylpyrazole-4-carbonitrile
SMILESCNc1c(C#N)cnn1-c1cccnc1
InChIInChI=1S/C10H9N5/c1-12-10-8(5-11)6-14-15(10)9-3-2-4-13-7-9/h2-4,6-7,12H,1H3
InChIKeyCOSVGILFRRPFCA-UHFFFAOYSA-N
XLogP1.18
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-1-pyridin-3-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-(methylamino)-1-pyridin-3-ylpyrazole-4-carbonitrile (CID 164945769) is 5-(methylamino)-1-pyridin-3-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-(methylamino)-1-pyridin-3-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-(methylamino)-1-pyridin-3-ylpyrazole-4-carbonitrile is CNc1c(C#N)cnn1-c1cccnc1.
What is the InChIKey of 5-(methylamino)-1-pyridin-3-ylpyrazole-4-carbonitrile?
The InChIKey is COSVGILFRRPFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-12-10-8(5-11)6-14-15(10)9-3-2-4-13-7-9/h2-4,6-7,12H,1H3.
What are the key properties of 5-(methylamino)-1-pyridin-3-ylpyrazole-4-carbonitrile?
5-(methylamino)-1-pyridin-3-ylpyrazole-4-carbonitrile has a molecular weight of 199.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1-pyridin-3-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 164945769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).