4-cyano-N-(1-propylpyrazol-3-yl)benzamide

C14H14N4O — CID 53017153

IUPAC4-cyano-N-(1-propylpyrazol-3-yl)benzamide
SMILESCCCn1ccc(NC(=O)c2ccc(C#N)cc2)n1
InChIInChI=1S/C14H14N4O/c1-2-8-18-9-7-13(17-18)16-14(19)12-5-3-11(10-15)4-6-12/h3-7,9H,2,8H2,1H3,(H,16,17,19)
InChIKeyQRMWOUGWJSZOBK-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.42
Rot. Bonds4

About 4-cyano-N-(1-propylpyrazol-3-yl)benzamide

4-cyano-N-(1-propylpyrazol-3-yl)benzamide (PubChem CID 53017153) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-cyano-N-(1-propylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(1-propylpyrazol-3-yl)benzamide
PubChem CID53017153
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-cyano-N-(1-propylpyrazol-3-yl)benzamide
SMILESCCCn1ccc(NC(=O)c2ccc(C#N)cc2)n1
InChIInChI=1S/C14H14N4O/c1-2-8-18-9-7-13(17-18)16-14(19)12-5-3-11(10-15)4-6-12/h3-7,9H,2,8H2,1H3,(H,16,17,19)
InChIKeyQRMWOUGWJSZOBK-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide
CID 114252349
4-tert-butyl-N-[1-(cyanomethyl)pyrazol-3-yl]benzamide
CID 95754984
5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 53017148
3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 39341702
2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide
CID 174835238
2,6-dichloro-N-(1-ethylpyrazol-3-yl)pyridine-4-carboxamide
CID 114251518
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
CID 138989642
N-(1-ethylpyrazol-3-yl)pyridine-3-carboxamide
CID 35286222
3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide
CID 114251537
4-cyano-N-(1,2-oxazol-3-yl)benzamide
CID 60660035
4-cyano-N-(2,6-diethylphenyl)benzamide
CID 2592061

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1-propylpyrazol-3-yl)benzamide?
The IUPAC name of 4-cyano-N-(1-propylpyrazol-3-yl)benzamide (CID 53017153) is 4-cyano-N-(1-propylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(1-propylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-cyano-N-(1-propylpyrazol-3-yl)benzamide is CCCn1ccc(NC(=O)c2ccc(C#N)cc2)n1.
What is the InChIKey of 4-cyano-N-(1-propylpyrazol-3-yl)benzamide?
The InChIKey is QRMWOUGWJSZOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-8-18-9-7-13(17-18)16-14(19)12-5-3-11(10-15)4-6-12/h3-7,9H,2,8H2,1H3,(H,16,17,19).
What are the key properties of 4-cyano-N-(1-propylpyrazol-3-yl)benzamide?
4-cyano-N-(1-propylpyrazol-3-yl)benzamide has a molecular weight of 254.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1-propylpyrazol-3-yl)benzamide is sourced from PubChem (CID 53017153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).