N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

C22H24N4O2 — CID 90595803

IUPACN-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOC1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)n[nH]3)cc2)CC1
InChIInChI=1S/C22H24N4O2/c1-28-19-11-13-26(14-12-19)18-9-7-17(8-10-18)23-22(27)21-15-20(24-25-21)16-5-3-2-4-6-16/h2-10,15,19H,11-14H2,1H3,(H,23,27)(H,24,25)
InChIKeyYBSQNQOATFCTMQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.94
Rot. Bonds5

About N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 90595803) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID90595803
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOC1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)n[nH]3)cc2)CC1
InChIInChI=1S/C22H24N4O2/c1-28-19-11-13-26(14-12-19)18-9-7-17(8-10-18)23-22(27)21-15-20(24-25-21)16-5-3-2-4-6-16/h2-10,15,19H,11-14H2,1H3,(H,23,27)(H,24,25)
InChIKeyYBSQNQOATFCTMQ-UHFFFAOYSA-N
XLogP3.94
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 90595800
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
CID 90595819
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90595310
3-(3-methoxyphenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 71809697
N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide
CID 71809682
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595860
2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide
CID 90595853
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide
CID 71809641
tert-butyl N-methyl-N-[1-[4-[(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)amino]phenyl]pyrrolidin-3-yl]carbamate
CID 91311117
tert-butyl N-methyl-N-[1-[4-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]phenyl]pyrrolidin-3-yl]carbamate
CID 58866886

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 90595803) is N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is COC1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)n[nH]3)cc2)CC1.
What is the InChIKey of N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is YBSQNQOATFCTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-19-11-13-26(14-12-19)18-9-7-17(8-10-18)23-22(27)21-15-20(24-25-21)16-5-3-2-4-6-16/h2-10,15,19H,11-14H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90595803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).