N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide

C8H13N3O — CID 58166088

IUPACN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
SMILESCC(=O)N(C)Cc1cc(C)[nH]n1
InChIInChI=1S/C8H13N3O/c1-6-4-8(10-9-6)5-11(3)7(2)12/h4H,5H2,1-3H3,(H,9,10)
InChIKeySXSWEEUSPZJECC-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.70
Rot. Bonds2

About N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide

N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide (PubChem CID 58166088) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
PubChem CID58166088
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
SMILESCC(=O)N(C)Cc1cc(C)[nH]n1
InChIInChI=1S/C8H13N3O/c1-6-4-8(10-9-6)5-11(3)7(2)12/h4H,5H2,1-3H3,(H,9,10)
InChIKeySXSWEEUSPZJECC-UHFFFAOYSA-N
XLogP0.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 154513358
2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol
CID 115879591
4-(5-methyl-1H-pyrazol-3-yl)butan-2-one
CID 82417105
3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid
CID 110836645
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide
CID 92553486
4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 39767253
2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide
CID 28685207
1-(aziridin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 130643669
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid
CID 154886914
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 25285334

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide (CID 58166088) is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide is CC(=O)N(C)Cc1cc(C)[nH]n1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide?
The InChIKey is SXSWEEUSPZJECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-4-8(10-9-6)5-11(3)7(2)12/h4H,5H2,1-3H3,(H,9,10).
What are the key properties of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide?
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide has a molecular weight of 167.21 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 58166088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).