5-(4-tert-butylphenyl)-1-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazole-3-carboxamide

C23H34N4O — CID 46104978

IUPAC5-(4-tert-butylphenyl)-1-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCCC2CCCN2C)cc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H34N4O/c1-6-27-21(17-9-11-18(12-10-17)23(2,3)4)16-20(25-27)22(28)24-14-13-19-8-7-15-26(19)5/h9-12,16,19H,6-8,13-15H2,1-5H3,(H,24,28)
InChIKeyXYMBVYDDFLDMLG-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.08
Rot. Bonds6

About 5-(4-tert-butylphenyl)-1-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazole-3-carboxamide

5-(4-tert-butylphenyl)-1-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 46104978) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-1-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazole-3-carboxamide
PubChem CID46104978
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name5-(4-tert-butylphenyl)-1-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCCC2CCCN2C)cc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H34N4O/c1-6-27-21(17-9-11-18(12-10-17)23(2,3)4)16-20(25-27)22(28)24-14-13-19-8-7-15-26(19)5/h9-12,16,19H,6-8,13-15H2,1-5H3,(H,24,28)
InChIKeyXYMBVYDDFLDMLG-UHFFFAOYSA-N
XLogP4.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide
CID 46104950
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
2-[4-[[[5-(4-tert-butylphenyl)-1-ethylpyrazole-3-carbonyl]amino]methyl]-2-methylphenoxy]-2-methylpropanoic acid
CID 11784860
4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 126443787
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 57383897
N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide
CID 42879111
4-tert-butyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
CID 59344869
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 46104727
4-(3-aminoisoquinolin-6-yl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 125446676
4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 126447434
1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea
CID 119059632
1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 46104554

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-1-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(4-tert-butylphenyl)-1-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazole-3-carboxamide (CID 46104978) is 5-(4-tert-butylphenyl)-1-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-tert-butylphenyl)-1-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-tert-butylphenyl)-1-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCCC2CCCN2C)cc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-1-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is XYMBVYDDFLDMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-6-27-21(17-9-11-18(12-10-17)23(2,3)4)16-20(25-27)22(28)24-14-13-19-8-7-15-26(19)5/h9-12,16,19H,6-8,13-15H2,1-5H3,(H,24,28).
What are the key properties of 5-(4-tert-butylphenyl)-1-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazole-3-carboxamide?
5-(4-tert-butylphenyl)-1-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 382.55 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-1-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 46104978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).