2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide

C11H16N4O — CID 102805652

IUPAC2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
SMILESCc1nn(C)cc1NC(=O)C(C#N)C(C)C
InChIInChI=1S/C11H16N4O/c1-7(2)9(5-12)11(16)13-10-6-15(4)14-8(10)3/h6-7,9H,1-4H3,(H,13,16)
InChIKeyCYXRDBZAGPAODC-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.46
Rot. Bonds3

About 2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide

2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide (PubChem CID 102805652) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
PubChem CID102805652
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
SMILESCc1nn(C)cc1NC(=O)C(C#N)C(C)C
InChIInChI=1S/C11H16N4O/c1-7(2)9(5-12)11(16)13-10-6-15(4)14-8(10)3/h6-7,9H,1-4H3,(H,13,16)
InChIKeyCYXRDBZAGPAODC-UHFFFAOYSA-N
XLogP1.46
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 103796990
2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide
CID 79043382
(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide
CID 103811522
N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide
CID 102805642
2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide
CID 115188542
1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide
CID 102805691
1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 102807086
N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
CID 102807672
N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide
CID 102806911
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide
CID 102805494
N-(1,3-dimethylpyrazol-4-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 102806891
2-[(1,3-dimethylpyrazol-4-yl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429481

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide?
The IUPAC name of 2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide (CID 102805652) is 2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide?
The canonical SMILES for 2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide is Cc1nn(C)cc1NC(=O)C(C#N)C(C)C.
What is the InChIKey of 2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide?
The InChIKey is CYXRDBZAGPAODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7(2)9(5-12)11(16)13-10-6-15(4)14-8(10)3/h6-7,9H,1-4H3,(H,13,16).
What are the key properties of 2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide?
2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide has a molecular weight of 220.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide is sourced from PubChem (CID 102805652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).