4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide

C15H16N4O — CID 171984736

IUPAC4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide
SMILESCCCCc1ccc(C(=O)Nc2[nH]ncc2C#N)cc1
InChIInChI=1S/C15H16N4O/c1-2-3-4-11-5-7-12(8-6-11)15(20)18-14-13(9-16)10-17-19-14/h5-8,10H,2-4H2,1H3,(H2,17,18,19,20)
InChIKeyKYTHGHAQAIHUBA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.88
Rot. Bonds5

About 4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide

4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide (PubChem CID 171984736) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide
PubChem CID171984736
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide
SMILESCCCCc1ccc(C(=O)Nc2[nH]ncc2C#N)cc1
InChIInChI=1S/C15H16N4O/c1-2-3-4-11-5-7-12(8-6-11)15(20)18-14-13(9-16)10-17-19-14/h5-8,10H,2-4H2,1H3,(H2,17,18,19,20)
InChIKeyKYTHGHAQAIHUBA-UHFFFAOYSA-N
XLogP2.88
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide
CID 78913840
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N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide
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3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea
CID 79503578
4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide
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N-(4-cyano-1H-pyrazol-5-yl)-3-methylfuran-2-carboxamide
CID 79503844
3-bromo-N-(4-cyano-1H-pyrazol-5-yl)-5-methylbenzamide
CID 104851534
2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115630203
N-(4-cyano-1H-pyrazol-5-yl)-3-methyl-4-nitrobenzamide
CID 78913751
N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide
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4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735788
4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83101910

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide (CID 171984736) is 4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide is CCCCc1ccc(C(=O)Nc2[nH]ncc2C#N)cc1.
What is the InChIKey of 4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The InChIKey is KYTHGHAQAIHUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-3-4-11-5-7-12(8-6-11)15(20)18-14-13(9-16)10-17-19-14/h5-8,10H,2-4H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide has a molecular weight of 268.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 171984736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).