N-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide

C20H16N4O — CID 142256171

IUPACN-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide
SMILESCc1cc(-c2cnn(-c3ccc(NC=O)cc3)c2)nc2ccccc12
InChIInChI=1S/C20H16N4O/c1-14-10-20(23-19-5-3-2-4-18(14)19)15-11-22-24(12-15)17-8-6-16(7-9-17)21-13-25/h2-13H,1H3,(H,21,25)
InChIKeyZTCYPHQVHRVVPA-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.96
Rot. Bonds4

About N-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide

N-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide (PubChem CID 142256171) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide
PubChem CID142256171
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide
SMILESCc1cc(-c2cnn(-c3ccc(NC=O)cc3)c2)nc2ccccc12
InChIInChI=1S/C20H16N4O/c1-14-10-20(23-19-5-3-2-4-18(14)19)15-11-22-24(12-15)17-8-6-16(7-9-17)21-13-25/h2-13H,1H3,(H,21,25)
InChIKeyZTCYPHQVHRVVPA-UHFFFAOYSA-N
XLogP3.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine
CID 169415294
N-[4-(4-chloropyrazol-1-yl)phenyl]formamide
CID 168653170
2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline
CID 3447283
N-[4-(4-bromopyrazol-1-yl)phenyl]formamide
CID 168652639
1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one
CID 169420450
4-methylquinoline-2-carbaldehyde
CID 12735795
6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde
CID 114755476
2-(4-iodophenyl)-4-methylquinoline
CID 8966469
2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride
CID 47104793
4-methyl-2-(1H-pyrazol-4-yl)quinoline
CID 170518667
4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride
CID 42887250
7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline
CID 169416201

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide?
The IUPAC name of N-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide (CID 142256171) is N-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide.
What is the SMILES notation for N-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide?
The canonical SMILES for N-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide is Cc1cc(-c2cnn(-c3ccc(NC=O)cc3)c2)nc2ccccc12.
What is the InChIKey of N-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide?
The InChIKey is ZTCYPHQVHRVVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-14-10-20(23-19-5-3-2-4-18(14)19)15-11-22-24(12-15)17-8-6-16(7-9-17)21-13-25/h2-13H,1H3,(H,21,25).
What are the key properties of N-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide?
N-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide has a molecular weight of 328.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide is sourced from PubChem (CID 142256171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).