1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide

C21H29ClN4O — CID 119555330

IUPAC1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NCCC2CCCNC2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C21H29ClN4O/c1-21(2,3)26-14-17(19(25-26)16-8-4-5-9-18(16)22)20(27)24-12-10-15-7-6-11-23-13-15/h4-5,8-9,14-15,23H,6-7,10-13H2,1-3H3,(H,24,27)
InChIKeyANUIMCCPIDULIS-UHFFFAOYSA-N
MW388.94 g/mol
LogP4.08
Rot. Bonds5

About 1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide

1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide (PubChem CID 119555330) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
PubChem CID119555330
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC Name1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NCCC2CCCNC2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C21H29ClN4O/c1-21(2,3)26-14-17(19(25-26)16-8-4-5-9-18(16)22)20(27)24-12-10-15-7-6-11-23-13-15/h4-5,8-9,14-15,23H,6-7,10-13H2,1-3H3,(H,24,27)
InChIKeyANUIMCCPIDULIS-UHFFFAOYSA-N
XLogP4.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119449855
5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide
CID 119558985
N-(3-aminopropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide
CID 119405158
2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119556621
1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119557093
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
N-(2-amino-1-cyclopropylethyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide
CID 119613141
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
3-tert-butyl-1-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119557851
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide (CID 119555330) is 1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide is CC(C)(C)n1cc(C(=O)NCCC2CCCNC2)c(-c2ccccc2Cl)n1.
What is the InChIKey of 1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide?
The InChIKey is ANUIMCCPIDULIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O/c1-21(2,3)26-14-17(19(25-26)16-8-4-5-9-18(16)22)20(27)24-12-10-15-7-6-11-23-13-15/h4-5,8-9,14-15,23H,6-7,10-13H2,1-3H3,(H,24,27).
What are the key properties of 1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide?
1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide has a molecular weight of 388.94 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119555330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).