5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

C12H17N5 — CID 63758874

IUPAC5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCN(CC(C)C#N)c1c(C#N)c(C)nn1C
InChIInChI=1S/C12H17N5/c1-5-17(8-9(2)6-13)12-11(7-14)10(3)15-16(12)4/h9H,5,8H2,1-4H3
InChIKeyMLJPWCJLYIBAAF-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.59
Rot. Bonds4

About 5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63758874) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63758874
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCN(CC(C)C#N)c1c(C#N)c(C)nn1C
InChIInChI=1S/C12H17N5/c1-5-17(8-9(2)6-13)12-11(7-14)10(3)15-16(12)4/h9H,5,8H2,1-4H3
InChIKeyMLJPWCJLYIBAAF-UHFFFAOYSA-N
XLogP1.59
TPSA68.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (CID 63758874) is 5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is CCN(CC(C)C#N)c1c(C#N)c(C)nn1C.
What is the InChIKey of 5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is MLJPWCJLYIBAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-5-17(8-9(2)6-13)12-11(7-14)10(3)15-16(12)4/h9H,5,8H2,1-4H3.
What are the key properties of 5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63758874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).