N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide

C14H14N4O — CID 78913840

IUPACN-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2[nH]ncc2C#N)cc1
InChIInChI=1S/C14H14N4O/c1-9(2)10-3-5-11(6-4-10)14(19)17-13-12(7-15)8-16-18-13/h3-6,8-9H,1-2H3,(H2,16,17,18,19)
InChIKeyRSNVVTLFMFMTRW-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.66
Rot. Bonds3

About N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide

N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide (PubChem CID 78913840) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide
PubChem CID78913840
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2[nH]ncc2C#N)cc1
InChIInChI=1S/C14H14N4O/c1-9(2)10-3-5-11(6-4-10)14(19)17-13-12(7-15)8-16-18-13/h3-6,8-9H,1-2H3,(H2,16,17,18,19)
InChIKeyRSNVVTLFMFMTRW-UHFFFAOYSA-N
XLogP2.66
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 78913823
4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 171984736
4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 81296169
4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 107987719
N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
CID 78913780
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 79504305
N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79503179
N-(4-cyano-1H-pyrazol-5-yl)-3-methyl-4-nitrobenzamide
CID 78913751
N-(4-cyano-1H-pyrazol-5-yl)-3-methylfuran-2-carboxamide
CID 79503844
N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide
CID 78913763
3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 110473457
5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide
CID 114036933

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide (CID 78913840) is N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2[nH]ncc2C#N)cc1.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide?
The InChIKey is RSNVVTLFMFMTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9(2)10-3-5-11(6-4-10)14(19)17-13-12(7-15)8-16-18-13/h3-6,8-9H,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide?
N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide has a molecular weight of 254.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 78913840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).