N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide

C20H20N4O — CID 49013807

IUPACN-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)C1CCC1
InChIInChI=1S/C20H20N4O/c25-20(16-5-4-6-16)22-13-17-14-24(18-7-2-1-3-8-18)23-19(17)15-9-11-21-12-10-15/h1-3,7-12,14,16H,4-6,13H2,(H,22,25)
InChIKeyTUEYNMRVPIBECL-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.35
Rot. Bonds5

About N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide

N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide (PubChem CID 49013807) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
PubChem CID49013807
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)C1CCC1
InChIInChI=1S/C20H20N4O/c25-20(16-5-4-6-16)22-13-17-14-24(18-7-2-1-3-8-18)23-19(17)15-9-11-21-12-10-15/h1-3,7-12,14,16H,4-6,13H2,(H,22,25)
InChIKeyTUEYNMRVPIBECL-UHFFFAOYSA-N
XLogP3.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 60604630
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxo-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide
CID 100610825
1-(cyclopropanecarbonyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 27864196
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine
CID 119125462
(2R,4S)-4-hydroxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 124703588
(3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 94799862
4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 27841140
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 60604723
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43048851
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]isoquinoline-1-carboxamide
CID 52822334
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17475464
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-nitrocyclopropane-1-carboxamide
CID 47037300

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide (CID 49013807) is N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide is O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)C1CCC1.
What is the InChIKey of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide?
The InChIKey is TUEYNMRVPIBECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(16-5-4-6-16)22-13-17-14-24(18-7-2-1-3-8-18)23-19(17)15-9-11-21-12-10-15/h1-3,7-12,14,16H,4-6,13H2,(H,22,25).
What are the key properties of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide?
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 49013807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).