N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide

C9H12N4O — CID 66122287

IUPACN-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC#N)n(C)n1
InChIInChI=1S/C9H12N4O/c1-3-7-6-8(13(2)12-7)9(14)11-5-4-10/h6H,3,5H2,1-2H3,(H,11,14)
InChIKeyMGTCIZITWVOAAQ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.24
Rot. Bonds3

About N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66122287) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66122287
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC#N)n(C)n1
InChIInChI=1S/C9H12N4O/c1-3-7-6-8(13(2)12-7)9(14)11-5-4-10/h6H,3,5H2,1-2H3,(H,11,14)
InChIKeyMGTCIZITWVOAAQ-UHFFFAOYSA-N
XLogP0.24
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide
CID 79193800
N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120728
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
N-[1-(cyanomethyl)pyrazol-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 95754868
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114308825
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66121924
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 79547185
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
3-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpyrazole-5-carboxamide
CID 113313377

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66122287) is N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NCC#N)n(C)n1.
What is the InChIKey of N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is MGTCIZITWVOAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-7-6-8(13(2)12-7)9(14)11-5-4-10/h6H,3,5H2,1-2H3,(H,11,14).
What are the key properties of N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66122287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).