4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide

C14H14N4O — CID 104627123

IUPAC4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
SMILESCn1ccc(CCNC(=O)c2ccc(C#N)cc2)n1
InChIInChI=1S/C14H14N4O/c1-18-9-7-13(17-18)6-8-16-14(19)12-4-2-11(10-15)3-5-12/h2-5,7,9H,6,8H2,1H3,(H,16,19)
InChIKeyLRFOIDJNYHYADI-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.26
Rot. Bonds4

About 4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide

4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide (PubChem CID 104627123) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
PubChem CID104627123
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
SMILESCn1ccc(CCNC(=O)c2ccc(C#N)cc2)n1
InChIInChI=1S/C14H14N4O/c1-18-9-7-13(17-18)6-8-16-14(19)12-4-2-11(10-15)3-5-12/h2-5,7,9H,6,8H2,1H3,(H,16,19)
InChIKeyLRFOIDJNYHYADI-UHFFFAOYSA-N
XLogP1.26
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 113434600
N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106105105
4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862
3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103818
5-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 106106166
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106106203
2-ethyl-6-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106106349
2-hydrazinyl-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106106434
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
2-(ethylamino)-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106106391
2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106106392

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide (CID 104627123) is 4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide is Cn1ccc(CCNC(=O)c2ccc(C#N)cc2)n1.
What is the InChIKey of 4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is LRFOIDJNYHYADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18-9-7-13(17-18)6-8-16-14(19)12-4-2-11(10-15)3-5-12/h2-5,7,9H,6,8H2,1H3,(H,16,19).
What are the key properties of 4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 254.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 104627123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).