5-amino-1-butyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide

C19H22N6O3 — CID 52943885

IUPAC5-amino-1-butyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCCCCn1ncc(C(=O)Nc2cc(C(=O)Nc3ccon3)ccc2C)c1N
InChIInChI=1S/C19H22N6O3/c1-3-4-8-25-17(20)14(11-21-25)19(27)22-15-10-13(6-5-12(15)2)18(26)23-16-7-9-28-24-16/h5-7,9-11H,3-4,8,20H2,1-2H3,(H,22,27)(H,23,24,26)
InChIKeyYNVJBPXDPSAYKP-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.07
Rot. Bonds7

About 5-amino-1-butyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide

5-amino-1-butyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide (PubChem CID 52943885) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-amino-1-butyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-butyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
PubChem CID52943885
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name5-amino-1-butyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCCCCn1ncc(C(=O)Nc2cc(C(=O)Nc3ccon3)ccc2C)c1N
InChIInChI=1S/C19H22N6O3/c1-3-4-8-25-17(20)14(11-21-25)19(27)22-15-10-13(6-5-12(15)2)18(26)23-16-7-9-28-24-16/h5-7,9-11H,3-4,8,20H2,1-2H3,(H,22,27)(H,23,24,26)
InChIKeyYNVJBPXDPSAYKP-UHFFFAOYSA-N
XLogP3.07
TPSA128.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-butyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-butyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide (CID 52943885) is 5-amino-1-butyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-butyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-butyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide is CCCCn1ncc(C(=O)Nc2cc(C(=O)Nc3ccon3)ccc2C)c1N.
What is the InChIKey of 5-amino-1-butyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is YNVJBPXDPSAYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-3-4-8-25-17(20)14(11-21-25)19(27)22-15-10-13(6-5-12(15)2)18(26)23-16-7-9-28-24-16/h5-7,9-11H,3-4,8,20H2,1-2H3,(H,22,27)(H,23,24,26).
What are the key properties of 5-amino-1-butyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
5-amino-1-butyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-butyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 52943885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).