3-(diethylamino)-1-methylpyrazole-4-carbonitrile

C9H14N4 — CID 104593349

IUPAC3-(diethylamino)-1-methylpyrazole-4-carbonitrile
SMILESCCN(CC)c1nn(C)cc1C#N
InChIInChI=1S/C9H14N4/c1-4-13(5-2)9-8(6-10)7-12(3)11-9/h7H,4-5H2,1-3H3
InChIKeyMMEOVFCHBMMTJA-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.14
Rot. Bonds3

About 3-(diethylamino)-1-methylpyrazole-4-carbonitrile

3-(diethylamino)-1-methylpyrazole-4-carbonitrile (PubChem CID 104593349) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-(diethylamino)-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-(diethylamino)-1-methylpyrazole-4-carbonitrile
PubChem CID104593349
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name3-(diethylamino)-1-methylpyrazole-4-carbonitrile
SMILESCCN(CC)c1nn(C)cc1C#N
InChIInChI=1S/C9H14N4/c1-4-13(5-2)9-8(6-10)7-12(3)11-9/h7H,4-5H2,1-3H3
InChIKeyMMEOVFCHBMMTJA-UHFFFAOYSA-N
XLogP1.14
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)pyridine-3-carbonitrile
CID 10012430
3-(2,5-dihydropyrrol-1-yl)-1-methylpyrazole-4-carbonitrile
CID 104593302
N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide
CID 115672371
N-(4-cyano-1-methylpyrazol-3-yl)octanamide
CID 112696255
N-(4-cyano-1-methylpyrazol-3-yl)heptanamide
CID 114752737
N-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide
CID 107938878
3-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylpyrazole-4-carbonitrile
CID 24993127
3-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carbonitrile
CID 168841681
3-(4-bromophenyl)-1-methylpyrazole-4-carbonitrile
CID 39096288
3-(2,5-dioxopyrrolidin-1-yl)-1-methylpyrazole-4-carbonitrile
CID 104593291
N-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide
CID 115688297
ethyl 2-[(4-cyano-1-methylpyrazol-3-yl)sulfamoyl]acetate
CID 104593262

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 3-(diethylamino)-1-methylpyrazole-4-carbonitrile (CID 104593349) is 3-(diethylamino)-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-(diethylamino)-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 3-(diethylamino)-1-methylpyrazole-4-carbonitrile is CCN(CC)c1nn(C)cc1C#N.
What is the InChIKey of 3-(diethylamino)-1-methylpyrazole-4-carbonitrile?
The InChIKey is MMEOVFCHBMMTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-4-13(5-2)9-8(6-10)7-12(3)11-9/h7H,4-5H2,1-3H3.
What are the key properties of 3-(diethylamino)-1-methylpyrazole-4-carbonitrile?
3-(diethylamino)-1-methylpyrazole-4-carbonitrile has a molecular weight of 178.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 104593349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).