2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide

C11H16N4O — CID 104693712

IUPAC2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
SMILESCn1nccc1CCNC(=O)C(C)(C)C#N
InChIInChI=1S/C11H16N4O/c1-11(2,8-12)10(16)13-6-4-9-5-7-14-15(9)3/h5,7H,4,6H2,1-3H3,(H,13,16)
InChIKeyFIXDTUMBWQHKOZ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.63
Rot. Bonds4

About 2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide

2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide (PubChem CID 104693712) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
PubChem CID104693712
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
SMILESCn1nccc1CCNC(=O)C(C)(C)C#N
InChIInChI=1S/C11H16N4O/c1-11(2,8-12)10(16)13-6-4-9-5-7-14-15(9)3/h5,7H,4,6H2,1-3H3,(H,13,16)
InChIKeyFIXDTUMBWQHKOZ-UHFFFAOYSA-N
XLogP0.63
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103006889
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide
CID 104694756
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 103004667
2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide
CID 103007055
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile
CID 103017223
2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid
CID 103004839
2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 115175209
6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide
CID 103006628

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide?
The IUPAC name of 2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide (CID 104693712) is 2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide is Cn1nccc1CCNC(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide?
The InChIKey is FIXDTUMBWQHKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-11(2,8-12)10(16)13-6-4-9-5-7-14-15(9)3/h5,7H,4,6H2,1-3H3,(H,13,16).
What are the key properties of 2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide?
2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide has a molecular weight of 220.28 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 104693712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).