5-tert-butyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrazole-3-carboxamide

C21H30N4O2 — CID 78879162

IUPAC5-tert-butyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(C(C)(C)C)[nH]n2)N2CCCC2)cc1
InChIInChI=1S/C21H30N4O2/c1-21(2,3)19-13-17(23-24-19)20(26)22-14-18(25-11-5-6-12-25)15-7-9-16(27-4)10-8-15/h7-10,13,18H,5-6,11-12,14H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyFYSWIBIDLNJQOC-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.28
Rot. Bonds6

About 5-tert-butyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrazole-3-carboxamide

5-tert-butyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrazole-3-carboxamide (PubChem CID 78879162) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrazole-3-carboxamide
PubChem CID78879162
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name5-tert-butyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(C(C)(C)C)[nH]n2)N2CCCC2)cc1
InChIInChI=1S/C21H30N4O2/c1-21(2,3)19-13-17(23-24-19)20(26)22-14-18(25-11-5-6-12-25)15-7-9-16(27-4)10-8-15/h7-10,13,18H,5-6,11-12,14H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyFYSWIBIDLNJQOC-UHFFFAOYSA-N
XLogP3.28
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-yl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1H-pyrazole-3-carboxamide
CID 167763561
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,2-dimethylpropanamide
CID 51173094
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyridine-2-carboxamide
CID 46522817
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide
CID 24544227
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide
CID 41411203
5-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 45133034
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 4841220
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
CID 42883480
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 17016119

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrazole-3-carboxamide (CID 78879162) is 5-tert-butyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrazole-3-carboxamide is COc1ccc(C(CNC(=O)c2cc(C(C)(C)C)[nH]n2)N2CCCC2)cc1.
What is the InChIKey of 5-tert-butyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is FYSWIBIDLNJQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-21(2,3)19-13-17(23-24-19)20(26)22-14-18(25-11-5-6-12-25)15-7-9-16(27-4)10-8-15/h7-10,13,18H,5-6,11-12,14H2,1-4H3,(H,22,26)(H,23,24).
What are the key properties of 5-tert-butyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrazole-3-carboxamide?
5-tert-butyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78879162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).