1-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide

C28H31N5O5 — CID 10929378

IUPAC1-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC3CCCO3)cc2C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C28H31N5O5/c1-37-22-12-10-21(11-13-22)33-25(17-24(31-33)26(34)29-18-23-5-4-16-38-23)27(35)30-20-8-6-19(7-9-20)28(36)32-14-2-3-15-32/h6-13,17,23H,2-5,14-16,18H2,1H3,(H,29,34)(H,30,35)
InChIKeyDFJPPDOTRUJQBY-UHFFFAOYSA-N
MW517.59 g/mol
LogP3.28
Rot. Bonds8

About 1-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide

1-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide (PubChem CID 10929378) has the molecular formula C28H31N5O5 and a molecular weight of 517.59 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide
PubChem CID10929378
Molecular FormulaC28H31N5O5
Molecular Weight517.59 g/mol
Exact Mass517.23
IUPAC Name1-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC3CCCO3)cc2C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C28H31N5O5/c1-37-22-12-10-21(11-13-22)33-25(17-24(31-33)26(34)29-18-23-5-4-16-38-23)27(35)30-20-8-6-19(7-9-20)28(36)32-14-2-3-15-32/h6-13,17,23H,2-5,14-16,18H2,1H3,(H,29,34)(H,30,35)
InChIKeyDFJPPDOTRUJQBY-UHFFFAOYSA-N
XLogP3.28
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.59
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)acetyl)-1-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 10275412
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CID 44581236
1-(4-methoxyphenyl)-6-(4-(1-(morpholinomethyl)cyclopropyl)phenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 44581420
1-(4-Methoxyphenyl)-6-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 59020061
1-(4-Methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 59020139
1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 69515911
6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phenyl)phenyl]-1-(4-methoxyphenyl)-N-methyl-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23635503
N-(1-{2-[(dimethylamino)methyl]phenyl}piperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23648157
1-(4-methoxyphenyl)-N-{1-[2-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-yl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23648158
1-(4-methoxyphenyl)-N-{1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23648159
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-methoxyphenyl)methyl]butanamide
CID 20919914

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide (CID 10929378) is 1-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide is COc1ccc(-n2nc(C(=O)NCC3CCCO3)cc2C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide?
The InChIKey is DFJPPDOTRUJQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O5/c1-37-22-12-10-21(11-13-22)33-25(17-24(31-33)26(34)29-18-23-5-4-16-38-23)27(35)30-20-8-6-19(7-9-20)28(36)32-14-2-3-15-32/h6-13,17,23H,2-5,14-16,18H2,1H3,(H,29,34)(H,30,35).
What are the key properties of 1-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide?
1-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide has a molecular weight of 517.59 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 10929378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).