2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide

C13H16N4O — CID 99992864

IUPAC2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1c(N)n[nH]c1-c1ccccc1
InChIInChI=1S/C13H16N4O/c1-17(2)11(18)8-10-12(15-16-13(10)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H3,14,15,16)
InChIKeyQNRWLYAJPKZHRK-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.29
Rot. Bonds3

About 2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide

2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide (PubChem CID 99992864) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide
PubChem CID99992864
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1c(N)n[nH]c1-c1ccccc1
InChIInChI=1S/C13H16N4O/c1-17(2)11(18)8-10-12(15-16-13(10)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H3,14,15,16)
InChIKeyQNRWLYAJPKZHRK-UHFFFAOYSA-N
XLogP1.29
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide
CID 45106953
[3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone
CID 155547181
2-[3-amino-5-[4-(3-fluoroprop-1-ynyl)phenyl]-1H-pyrazol-4-yl]-N,N-diethylacetamide
CID 178340454
3-amino-5-phenyl-1H-pyrazole-4-carboxamide
CID 14775202
3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide
CID 3592853
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-phenylpropyl)propanamide
CID 75520723
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide
CID 58329673
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8840552
N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8840556
N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-2-(2,4-difluorophenyl)-N-methylacetamide
CID 75443555
1-(3-Amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-fluorophenyl)ethanone
CID 84581306
4-[3-amino-4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylpyridin-2-one
CID 108105291

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide (CID 99992864) is 2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1c(N)n[nH]c1-c1ccccc1.
What is the InChIKey of 2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide?
The InChIKey is QNRWLYAJPKZHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17(2)11(18)8-10-12(15-16-13(10)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H3,14,15,16).
What are the key properties of 2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide?
2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide has a molecular weight of 244.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 99992864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).