2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide

C9H12N4O — CID 61442217

IUPAC2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(C)c1)C(=O)CC#N
InChIInChI=1S/C9H12N4O/c1-12(9(14)3-4-10)6-8-5-11-13(2)7-8/h5,7H,3,6H2,1-2H3
InChIKeyLWNBAAXRJOTIPP-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.29
Rot. Bonds3

About 2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide

2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 61442217) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID61442217
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(C)c1)C(=O)CC#N
InChIInChI=1S/C9H12N4O/c1-12(9(14)3-4-10)6-8-5-11-13(2)7-8/h5,7H,3,6H2,1-2H3
InChIKeyLWNBAAXRJOTIPP-UHFFFAOYSA-N
XLogP0.29
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanamide
CID 61438320
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246
2-(cyclopropylmethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 54869359
2-amino-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 61265030
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride
CID 119834041
3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005
N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 51266478
2-[carboxymethyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63644606
2,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 76992644
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropanoic acid
CID 82820708

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 61442217) is 2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide is CN(Cc1cnn(C)c1)C(=O)CC#N.
What is the InChIKey of 2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is LWNBAAXRJOTIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-12(9(14)3-4-10)6-8-5-11-13(2)7-8/h5,7H,3,6H2,1-2H3.
What are the key properties of 2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 192.22 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 61442217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).