4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C13H12N4O — CID 61343888

IUPAC4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2ccc(C#N)cc2)cn1
InChIInChI=1S/C13H12N4O/c1-17-9-11(8-16-17)7-15-13(18)12-4-2-10(6-14)3-5-12/h2-5,8-9H,7H2,1H3,(H,15,18)
InChIKeyWXACKQYDNCCBNM-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.22
Rot. Bonds3

About 4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide

4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 61343888) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID61343888
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2ccc(C#N)cc2)cn1
InChIInChI=1S/C13H12N4O/c1-17-9-11(8-16-17)7-15-13(18)12-4-2-10(6-14)3-5-12/h2-5,8-9H,7H2,1H3,(H,15,18)
InChIKeyWXACKQYDNCCBNM-UHFFFAOYSA-N
XLogP1.22
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyanophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 47161871
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355
4-[[[3-(4-cyano-N-sulfinoanilino)-4-methylbenzoyl]amino]methyl]-1-methylpyrazole
CID 175036213
4-[[[3-(4-cyano-N-sulfinatoanilino)-4-methylbenzoyl]amino]methyl]-1-methylpyrazole
CID 175036212
4-cyano-N-[(1-methylpyrrol-3-yl)methyl]benzamide
CID 103722004
4-cyano-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]benzamide
CID 128990707
3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 113434699
4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292350
1-[(5-cyano-2-fluorophenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 71869958
4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 122561579

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 61343888) is 4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cn1cc(CNC(=O)c2ccc(C#N)cc2)cn1.
What is the InChIKey of 4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is WXACKQYDNCCBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-17-9-11(8-16-17)7-15-13(18)12-4-2-10(6-14)3-5-12/h2-5,8-9H,7H2,1H3,(H,15,18).
What are the key properties of 4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 240.27 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 61343888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).