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

C17H17FN4O2 — CID 87043626

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2cnn(-c3ccccc3F)c2C)oc1C
InChIInChI=1S/C17H17FN4O2/c1-10-12(3)24-16(21-10)9-19-17(23)13-8-20-22(11(13)2)15-7-5-4-6-14(15)18/h4-8H,9H2,1-3H3,(H,19,23)
InChIKeyDKKMVHSJVYVQLB-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.85
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 87043626) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID87043626
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2cnn(-c3ccccc3F)c2C)oc1C
InChIInChI=1S/C17H17FN4O2/c1-10-12(3)24-16(21-10)9-19-17(23)13-8-20-22(11(13)2)15-7-5-4-6-14(15)18/h4-8H,9H2,1-3H3,(H,19,23)
InChIKeyDKKMVHSJVYVQLB-UHFFFAOYSA-N
XLogP2.85
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 87043626) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is Cc1nc(CNC(=O)c2cnn(-c3ccccc3F)c2C)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is DKKMVHSJVYVQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-10-12(3)24-16(21-10)9-19-17(23)13-8-20-22(11(13)2)15-7-5-4-6-14(15)18/h4-8H,9H2,1-3H3,(H,19,23).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 87043626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).