1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride

C16H29ClN4O — CID 119535618

IUPAC1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)NCCC2CCNC2)cnn1C(C)(C)C.Cl
InChIInChI=1S/C16H28N4O.ClH/c1-5-14-13(11-19-20(14)16(2,3)4)15(21)18-9-7-12-6-8-17-10-12;/h11-12,17H,5-10H2,1-4H3,(H,18,21);1H
InChIKeyCUOJZRABOOYBIF-UHFFFAOYSA-N
MW328.89 g/mol
LogP2.35
Rot. Bonds5

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

1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119535618) has the molecular formula C16H29ClN4O and a molecular weight of 328.89 g/mol. Its IUPAC name is 1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119535618
Molecular FormulaC16H29ClN4O
Molecular Weight328.89 g/mol
Exact Mass328.20
IUPAC Name1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)NCCC2CCNC2)cnn1C(C)(C)C.Cl
InChIInChI=1S/C16H28N4O.ClH/c1-5-14-13(11-19-20(14)16(2,3)4)15(21)18-9-7-12-6-8-17-10-12;/h11-12,17H,5-10H2,1-4H3,(H,18,21);1H
InChIKeyCUOJZRABOOYBIF-UHFFFAOYSA-N
XLogP2.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119557093
1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119557582
2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119537084
1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120575921
5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide
CID 63628731
2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
CID 119537626
1-tert-butyl-3-methyl-6-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 119536214
1-(3-bromophenyl)-5-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide
CID 119535088
4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide
CID 65210340
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
1-hydroxy-N-(2-pyrrolidin-3-ylethyl)naphthalene-2-carboxamide
CID 63622131
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride (CID 119535618) is 1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride is CCc1c(C(=O)NCCC2CCNC2)cnn1C(C)(C)C.Cl.
What is the InChIKey of 1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is CUOJZRABOOYBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O.ClH/c1-5-14-13(11-19-20(14)16(2,3)4)15(21)18-9-7-12-6-8-17-10-12;/h11-12,17H,5-10H2,1-4H3,(H,18,21);1H.
What are the key properties of 1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride?
1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 328.89 g/mol, XLogP of 2.35, 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-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119535618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).