N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide

C13H12N4O2 — CID 62298914

IUPACN-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C13H12N4O2/c1-17-12(5-7-15-17)13(18)16-10-3-2-4-11(9-10)19-8-6-14/h2-5,7,9H,8H2,1H3,(H,16,18)
InChIKeyYHTQZZAMYYBLQD-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.57
Rot. Bonds4

About N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide

N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 62298914) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide
PubChem CID62298914
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC NameN-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C13H12N4O2/c1-17-12(5-7-15-17)13(18)16-10-3-2-4-11(9-10)19-8-6-14/h2-5,7,9H,8H2,1H3,(H,16,18)
InChIKeyYHTQZZAMYYBLQD-UHFFFAOYSA-N
XLogP1.57
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 60776333
N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 54898037
2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide
CID 103754604
[3-(cyanomethoxy)phenyl]urea
CID 43369607
N-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide
CID 91945753
N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
CID 43369137
4-(chloromethyl)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43699575
1-[3-(cyanomethoxy)phenyl]-3-ethylurea
CID 43175550
1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369603

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide (CID 62298914) is N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1cccc(OCC#N)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is YHTQZZAMYYBLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-17-12(5-7-15-17)13(18)16-10-3-2-4-11(9-10)19-8-6-14/h2-5,7,9H,8H2,1H3,(H,16,18).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide?
N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 62298914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).