5-ethyl-4-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-1H-pyrazole-3-carboxamide

C15H17N5O3 — CID 74247180

IUPAC5-ethyl-4-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(Cc2cocn2)Cc2cocn2)c1C
InChIInChI=1S/C15H17N5O3/c1-3-13-10(2)14(19-18-13)15(21)20(4-11-6-22-8-16-11)5-12-7-23-9-17-12/h6-9H,3-5H2,1-2H3,(H,18,19)
InChIKeyVHJTWUZTPBZVKL-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.10
Rot. Bonds6

About 5-ethyl-4-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-1H-pyrazole-3-carboxamide

5-ethyl-4-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 74247180) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID74247180
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name5-ethyl-4-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(Cc2cocn2)Cc2cocn2)c1C
InChIInChI=1S/C15H17N5O3/c1-3-13-10(2)14(19-18-13)15(21)20(4-11-6-22-8-16-11)5-12-7-23-9-17-12/h6-9H,3-5H2,1-2H3,(H,18,19)
InChIKeyVHJTWUZTPBZVKL-UHFFFAOYSA-N
XLogP2.10
TPSA101.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-1H-pyrazole-3-carboxamide (CID 74247180) is 5-ethyl-4-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N(Cc2cocn2)Cc2cocn2)c1C.
What is the InChIKey of 5-ethyl-4-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is VHJTWUZTPBZVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-3-13-10(2)14(19-18-13)15(21)20(4-11-6-22-8-16-11)5-12-7-23-9-17-12/h6-9H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 5-ethyl-4-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-1H-pyrazole-3-carboxamide?
5-ethyl-4-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 74247180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).