N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C23H26N4O3 — CID 20953785

IUPACN,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccc(OC)cc3)c2C2CCNCC2)cc1
InChIInChI=1S/C23H26N4O3/c1-29-19-7-3-17(4-8-19)26-23(28)21-15-25-27(18-5-9-20(30-2)10-6-18)22(21)16-11-13-24-14-12-16/h3-10,15-16,24H,11-14H2,1-2H3,(H,26,28)
InChIKeyMKCSKVFADTWOSR-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.61
Rot. Bonds6

About N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20953785) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20953785
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccc(OC)cc3)c2C2CCNCC2)cc1
InChIInChI=1S/C23H26N4O3/c1-29-19-7-3-17(4-8-19)26-23(28)21-15-25-27(18-5-9-20(30-2)10-6-18)22(21)16-11-13-24-14-12-16/h3-10,15-16,24H,11-14H2,1-2H3,(H,26,28)
InChIKeyMKCSKVFADTWOSR-UHFFFAOYSA-N
XLogP3.61
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953848
N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867242
N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953833
N-(4-acetylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953788
N-(4-bromophenyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924035
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924020
1-(3-chloro-4-methylphenyl)-N-(3,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146051847
N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924166
1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride
CID 146059779
tert-butyl 4-[4-[(4-fluorophenyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46281184
N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20866625
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 63173747

Frequently Asked Questions

What is the IUPAC name of N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20953785) is N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccc(OC)cc3)c2C2CCNCC2)cc1.
What is the InChIKey of N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is MKCSKVFADTWOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-19-7-3-17(4-8-19)26-23(28)21-15-25-27(18-5-9-20(30-2)10-6-18)22(21)16-11-13-24-14-12-16/h3-10,15-16,24H,11-14H2,1-2H3,(H,26,28).
What are the key properties of N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20953785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).