N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide

C23H22N4O2 — CID 44526206

IUPACN-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(-c3c(C)noc3C)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H22N4O2/c1-15-13-21(27(25-15)20-7-5-4-6-8-20)23(28)24-14-18-9-11-19(12-10-18)22-16(2)26-29-17(22)3/h4-13H,14H2,1-3H3,(H,24,28)
InChIKeyJKANIULQODZIHL-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.38
Rot. Bonds5

About N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide

N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 44526206) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID44526206
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(-c3c(C)noc3C)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H22N4O2/c1-15-13-21(27(25-15)20-7-5-4-6-8-20)23(28)24-14-18-9-11-19(12-10-18)22-16(2)26-29-17(22)3/h4-13H,14H2,1-3H3,(H,24,28)
InChIKeyJKANIULQODZIHL-UHFFFAOYSA-N
XLogP4.38
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide (CID 44526206) is N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCc2ccc(-c3c(C)noc3C)cc2)n(-c2ccccc2)n1.
What is the InChIKey of N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is JKANIULQODZIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-13-21(27(25-15)20-7-5-4-6-8-20)23(28)24-14-18-9-11-19(12-10-18)22-16(2)26-29-17(22)3/h4-13H,14H2,1-3H3,(H,24,28).
What are the key properties of N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 44526206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).