2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide

C9H16N4O — CID 102737443

IUPAC2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESCN(C)CC(=O)N(C)Cc1cn[nH]c1
InChIInChI=1S/C9H16N4O/c1-12(2)7-9(14)13(3)6-8-4-10-11-5-8/h4-5H,6-7H2,1-3H3,(H,10,11)
InChIKeyXBFZFZXQSRWEET-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.07
Rot. Bonds4

About 2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide

2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide (PubChem CID 102737443) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide
PubChem CID102737443
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESCN(C)CC(=O)N(C)Cc1cn[nH]c1
InChIInChI=1S/C9H16N4O/c1-12(2)7-9(14)13(3)6-8-4-10-11-5-8/h4-5H,6-7H2,1-3H3,(H,10,11)
InChIKeyXBFZFZXQSRWEET-UHFFFAOYSA-N
XLogP-0.07
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114092383
N-methyl-N-(1H-pyrazol-4-ylmethyl)azepane-1-carboxamide
CID 79152116
N,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 79202997
ethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698056
2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 114290739
3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829979
4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid
CID 64889164
N,2,4-trimethyl-N-(1H-pyrazol-4-ylmethyl)-1,3-oxazole-5-carboxamide
CID 79209196
1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide
CID 80599035
3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65226677
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 77016051
2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105381264

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide (CID 102737443) is 2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide is CN(C)CC(=O)N(C)Cc1cn[nH]c1.
What is the InChIKey of 2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide?
The InChIKey is XBFZFZXQSRWEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-12(2)7-9(14)13(3)6-8-4-10-11-5-8/h4-5H,6-7H2,1-3H3,(H,10,11).
What are the key properties of 2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide?
2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide has a molecular weight of 196.25 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide is sourced from PubChem (CID 102737443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).