1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide

C17H30N4O — CID 119557093

IUPAC1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCC2CCCNC2)cnn1C(C)(C)C
InChIInChI=1S/C17H30N4O/c1-5-15-14(12-20-21(15)17(2,3)4)16(22)19-10-8-13-7-6-9-18-11-13/h12-13,18H,5-11H2,1-4H3,(H,19,22)
InChIKeyJWFAGKHNMHJKOU-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.32
Rot. Bonds5

About 1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide

1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide (PubChem CID 119557093) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
PubChem CID119557093
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCC2CCCNC2)cnn1C(C)(C)C
InChIInChI=1S/C17H30N4O/c1-5-15-14(12-20-21(15)17(2,3)4)16(22)19-10-8-13-7-6-9-18-11-13/h12-13,18H,5-11H2,1-4H3,(H,19,22)
InChIKeyJWFAGKHNMHJKOU-UHFFFAOYSA-N
XLogP2.32
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119535618
1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119557582
1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119556637
5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461346
3-hydroxy-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 81445403
1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119556429
1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120575921
1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119555330
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide
CID 119556823
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide (CID 119557093) is 1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCCC2CCCNC2)cnn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide?
The InChIKey is JWFAGKHNMHJKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-5-15-14(12-20-21(15)17(2,3)4)16(22)19-10-8-13-7-6-9-18-11-13/h12-13,18H,5-11H2,1-4H3,(H,19,22).
What are the key properties of 1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide?
1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119557093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).