N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(4-methylphenyl)oxane-4-carboxamide

C21H29N3O2 — CID 75537644

IUPACN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(4-methylphenyl)oxane-4-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3c(C)nn(C(C)C)c3C)CCOCC2)cc1
InChIInChI=1S/C21H29N3O2/c1-14(2)24-17(5)19(16(4)23-24)22-20(25)21(10-12-26-13-11-21)18-8-6-15(3)7-9-18/h6-9,14H,10-13H2,1-5H3,(H,22,25)
InChIKeySMLPHTPIPKYGSN-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.08
Rot. Bonds4

About N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(4-methylphenyl)oxane-4-carboxamide

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(4-methylphenyl)oxane-4-carboxamide (PubChem CID 75537644) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(4-methylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(4-methylphenyl)oxane-4-carboxamide
PubChem CID75537644
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(4-methylphenyl)oxane-4-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3c(C)nn(C(C)C)c3C)CCOCC2)cc1
InChIInChI=1S/C21H29N3O2/c1-14(2)24-17(5)19(16(4)23-24)22-20(25)21(10-12-26-13-11-21)18-8-6-15(3)7-9-18/h6-9,14H,10-13H2,1-5H3,(H,22,25)
InChIKeySMLPHTPIPKYGSN-UHFFFAOYSA-N
XLogP4.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537630
2-methyl-3-[4-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]phenyl]propanoic acid
CID 120541500
N-[5-(5-methyl-1-propan-2-ylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenyloxane-4-carboxamide
CID 56723960
(2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid
CID 119363993
N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537653
4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide
CID 27455998
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122356805
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 119526063
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide
CID 67987871
N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 119419519
4-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]butanoic acid
CID 119352741
4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide
CID 99620718

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(4-methylphenyl)oxane-4-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(4-methylphenyl)oxane-4-carboxamide (CID 75537644) is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(4-methylphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(4-methylphenyl)oxane-4-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(4-methylphenyl)oxane-4-carboxamide is Cc1ccc(C2(C(=O)Nc3c(C)nn(C(C)C)c3C)CCOCC2)cc1.
What is the InChIKey of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(4-methylphenyl)oxane-4-carboxamide?
The InChIKey is SMLPHTPIPKYGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-14(2)24-17(5)19(16(4)23-24)22-20(25)21(10-12-26-13-11-21)18-8-6-15(3)7-9-18/h6-9,14H,10-13H2,1-5H3,(H,22,25).
What are the key properties of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(4-methylphenyl)oxane-4-carboxamide?
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(4-methylphenyl)oxane-4-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(4-methylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 75537644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).