2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide

C23H26N4O3 — CID 42382288

IUPAC2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccncc2)Cc2cccc(O[C@@H]3CCOC3)c2)n(C)n1
InChIInChI=1S/C23H26N4O3/c1-17-12-22(26(2)25-17)23(28)27(14-18-6-9-24-10-7-18)15-19-4-3-5-20(13-19)30-21-8-11-29-16-21/h3-7,9-10,12-13,21H,8,11,14-16H2,1-2H3/t21-/m1/s1
InChIKeyJGHCMKYKJUXISX-OAQYLSRUSA-N
MW406.49 g/mol
LogP3.13
Rot. Bonds7

About 2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide

2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (PubChem CID 42382288) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
PubChem CID42382288
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccncc2)Cc2cccc(O[C@@H]3CCOC3)c2)n(C)n1
InChIInChI=1S/C23H26N4O3/c1-17-12-22(26(2)25-17)23(28)27(14-18-6-9-24-10-7-18)15-19-4-3-5-20(13-19)30-21-8-11-29-16-21/h3-7,9-10,12-13,21H,8,11,14-16H2,1-2H3/t21-/m1/s1
InChIKeyJGHCMKYKJUXISX-OAQYLSRUSA-N
XLogP3.13
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide with MolForge

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Related Compounds

3-methyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 42433213
3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 45222109
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 45225911
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 42796231
N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 75449858
N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 66129017
N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
CID 42796160
3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115004698
3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
CID 117318293
N-[[3-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63556352
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 45234882
4-[3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117415298

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (CID 42382288) is 2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is Cc1cc(C(=O)N(Cc2ccncc2)Cc2cccc(O[C@@H]3CCOC3)c2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is JGHCMKYKJUXISX-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-17-12-22(26(2)25-17)23(28)27(14-18-6-9-24-10-7-18)15-19-4-3-5-20(13-19)30-21-8-11-29-16-21/h3-7,9-10,12-13,21H,8,11,14-16H2,1-2H3/t21-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42382288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).