5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile

C9H12N4O — CID 22310036

IUPAC5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile
SMILESCn1nc(C2CCCO2)c(C#N)c1N
InChIInChI=1S/C9H12N4O/c1-13-9(11)6(5-10)8(12-13)7-3-2-4-14-7/h7H,2-4,11H2,1H3
InChIKeyXNFLTPRMSUSGOW-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.73
Rot. Bonds1

About 5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile

5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile (PubChem CID 22310036) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile
PubChem CID22310036
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile
SMILESCn1nc(C2CCCO2)c(C#N)c1N
InChIInChI=1S/C9H12N4O/c1-13-9(11)6(5-10)8(12-13)7-3-2-4-14-7/h7H,2-4,11H2,1H3
InChIKeyXNFLTPRMSUSGOW-UHFFFAOYSA-N
XLogP0.73
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile (CID 22310036) is 5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile is Cn1nc(C2CCCO2)c(C#N)c1N.
What is the InChIKey of 5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile?
The InChIKey is XNFLTPRMSUSGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-13-9(11)6(5-10)8(12-13)7-3-2-4-14-7/h7H,2-4,11H2,1H3.
What are the key properties of 5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile?
5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 22310036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).