N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

C17H18N4O2 — CID 19477759

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1noc(C)c1NC(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C17H18N4O2/c1-10-15(17(22)18-16-11(2)20-23-13(16)4)12(3)21(19-10)14-8-6-5-7-9-14/h5-9H,1-4H3,(H,18,22)
InChIKeyYVBLGCNMSHDEOM-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.35
Rot. Bonds3

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

N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 19477759) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID19477759
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1noc(C)c1NC(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C17H18N4O2/c1-10-15(17(22)18-16-11(2)20-23-13(16)4)12(3)21(19-10)14-8-6-5-7-9-14/h5-9H,1-4H3,(H,18,22)
InChIKeyYVBLGCNMSHDEOM-UHFFFAOYSA-N
XLogP3.35
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2740686
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-3-methyl-5-isoxazolecarboxamide
CID 9550989
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 9550990
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 57422275
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 51353175
(E)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylprop-2-enamide
CID 57422273
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 6619748
N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-methyl-3-isoxazolecarboxamide
CID 15988710
N-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-YL)-5-(propan-2-YL)-1,2-oxazole-3-carboxamide
CID 15988782
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide
CID 5308012
1-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylurea
CID 155516501

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 19477759) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1noc(C)c1NC(=O)c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is YVBLGCNMSHDEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-15(17(22)18-16-11(2)20-23-13(16)4)12(3)21(19-10)14-8-6-5-7-9-14/h5-9H,1-4H3,(H,18,22).
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 19477759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).