2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide

C7H9N5O — CID 110470006

IUPAC2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
SMILESCn1ncc(C#N)c1NC(=O)CN
InChIInChI=1S/C7H9N5O/c1-12-7(11-6(13)3-9)5(2-8)4-10-12/h4H,3,9H2,1H3,(H,11,13)
InChIKeyVGJILCXNQUOGKG-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.81
Rot. Bonds2

About 2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide

2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide (PubChem CID 110470006) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
PubChem CID110470006
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
SMILESCn1ncc(C#N)c1NC(=O)CN
InChIInChI=1S/C7H9N5O/c1-12-7(11-6(13)3-9)5(2-8)4-10-12/h4H,3,9H2,1H3,(H,11,13)
InChIKeyVGJILCXNQUOGKG-UHFFFAOYSA-N
XLogP-0.81
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104
2-chloroethyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 108737063
2,2,2-trichloro-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 108737045
N-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide
CID 83137865
5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 110477668
1-tert-butyl-3-(4-cyano-1-methylpyrazol-5-yl)urea
CID 79504321
N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552207
N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557634
N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309878
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103163607
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 112723108
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide
CID 17088858

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide?
The IUPAC name of 2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide (CID 110470006) is 2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide is Cn1ncc(C#N)c1NC(=O)CN.
What is the InChIKey of 2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide?
The InChIKey is VGJILCXNQUOGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-12-7(11-6(13)3-9)5(2-8)4-10-12/h4H,3,9H2,1H3,(H,11,13).
What are the key properties of 2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide?
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide has a molecular weight of 179.18 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide is sourced from PubChem (CID 110470006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).