N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide

C18H14N4O2 — CID 19886103

IUPACN-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide
SMILESCOc1ccc(-c2cc(C#N)nn2-c2ccc(NC=O)cc2)cc1
InChIInChI=1S/C18H14N4O2/c1-24-17-8-2-13(3-9-17)18-10-15(11-19)21-22(18)16-6-4-14(5-7-16)20-12-23/h2-10,12H,1H3,(H,20,23)
InChIKeyXXNXBJHRXJOUQQ-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.99
Rot. Bonds5

About N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide

N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide (PubChem CID 19886103) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide
PubChem CID19886103
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide
SMILESCOc1ccc(-c2cc(C#N)nn2-c2ccc(NC=O)cc2)cc1
InChIInChI=1S/C18H14N4O2/c1-24-17-8-2-13(3-9-17)18-10-15(11-19)21-22(18)16-6-4-14(5-7-16)20-12-23/h2-10,12H,1H3,(H,20,23)
InChIKeyXXNXBJHRXJOUQQ-UHFFFAOYSA-N
XLogP2.99
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 94962094
5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 58806840
5-(4-methylphenyl)-1-[4-(2-oxoethylamino)phenyl]pyrazole-3-carbonitrile
CID 19886221
1-[4-(methylamino)phenyl]-5-(4-methylsulfinylphenyl)pyrazole-3-carbonitrile
CID 10616848
1,5-bis(4-chlorophenyl)pyrazole-3-carbonitrile
CID 94962068
5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 54077138
bis[[[3-cyano-1-(4-methoxyphenyl)pyrazol-5-yl]amino]oxy]-oxophosphanium
CID 175016349
N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]hydroxylamine
CID 15461756
4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]benzonitrile
CID 21090930
5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile
CID 10735976
1-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)pyrazole-3-carbonitrile
CID 10687510
3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide?
The IUPAC name of N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide (CID 19886103) is N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide.
What is the SMILES notation for N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide?
The canonical SMILES for N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide is COc1ccc(-c2cc(C#N)nn2-c2ccc(NC=O)cc2)cc1.
What is the InChIKey of N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide?
The InChIKey is XXNXBJHRXJOUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-24-17-8-2-13(3-9-17)18-10-15(11-19)21-22(18)16-6-4-14(5-7-16)20-12-23/h2-10,12H,1H3,(H,20,23).
What are the key properties of N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide?
N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide has a molecular weight of 318.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide is sourced from PubChem (CID 19886103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).