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

C15H17N5O2 — CID 86822466

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2cnn(C)c2-n2cccc2)oc1C
InChIInChI=1S/C15H17N5O2/c1-10-11(2)22-13(18-10)9-16-14(21)12-8-17-19(3)15(12)20-6-4-5-7-20/h4-8H,9H2,1-3H3,(H,16,21)
InChIKeyDSKNEZQIQCYFRL-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.75
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 86822466) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID86822466
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2cnn(C)c2-n2cccc2)oc1C
InChIInChI=1S/C15H17N5O2/c1-10-11(2)22-13(18-10)9-16-14(21)12-8-17-19(3)15(12)20-6-4-5-7-20/h4-8H,9H2,1-3H3,(H,16,21)
InChIKeyDSKNEZQIQCYFRL-UHFFFAOYSA-N
XLogP1.75
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 86822466) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1nc(CNC(=O)c2cnn(C)c2-n2cccc2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is DSKNEZQIQCYFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-10-11(2)22-13(18-10)9-16-14(21)12-8-17-19(3)15(12)20-6-4-5-7-20/h4-8H,9H2,1-3H3,(H,16,21).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 86822466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).