N-(1H-pyrazol-4-ylmethyl)acetamide

C6H9N3O — CID 60756752

IUPACN-(1H-pyrazol-4-ylmethyl)acetamide
SMILESCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C6H9N3O/c1-5(10)7-2-6-3-8-9-4-6/h3-4H,2H2,1H3,(H,7,10)(H,8,9)
InChIKeyVFAFDDVJGKOBTH-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.05
Rot. Bonds2

About N-(1H-pyrazol-4-ylmethyl)acetamide

N-(1H-pyrazol-4-ylmethyl)acetamide (PubChem CID 60756752) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)acetamide
PubChem CID60756752
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN-(1H-pyrazol-4-ylmethyl)acetamide
SMILESCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C6H9N3O/c1-5(10)7-2-6-3-8-9-4-6/h3-4H,2H2,1H3,(H,7,10)(H,8,9)
InChIKeyVFAFDDVJGKOBTH-UHFFFAOYSA-N
XLogP0.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
4-(Boc-aminomethyl)pyrazole
CID 47003356
methyl((1H-pyrazol-4-yl)methyl)amine hydrochloride
CID 167716177
N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644
N-Methyl-1H-pyrazole-4-carboxamide
CID 43582329
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582804
N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide
CID 79078834
N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
CID 127006745
2-fluoro-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
CID 176960189
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60891031
3,3,3-trifluoro-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60967568

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)acetamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)acetamide (CID 60756752) is N-(1H-pyrazol-4-ylmethyl)acetamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)acetamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)acetamide is CC(=O)NCc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)acetamide?
The InChIKey is VFAFDDVJGKOBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-5(10)7-2-6-3-8-9-4-6/h3-4H,2H2,1H3,(H,7,10)(H,8,9).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)acetamide?
N-(1H-pyrazol-4-ylmethyl)acetamide has a molecular weight of 139.16 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)acetamide is sourced from PubChem (CID 60756752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).