N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide

C16H24N6O2 — CID 19398390

IUPACN-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C16H24N6O2/c1-6-8-17-16(24)14-12(9-22(7-2)20-14)18-15(23)13-10(3)19-21(5)11(13)4/h9H,6-8H2,1-5H3,(H,17,24)(H,18,23)
InChIKeyFQUSBUMHPNBUDV-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.65
Rot. Bonds6

About N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide

N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 19398390) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID19398390
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C16H24N6O2/c1-6-8-17-16(24)14-12(9-22(7-2)20-14)18-15(23)13-10(3)19-21(5)11(13)4/h9H,6-8H2,1-5H3,(H,17,24)(H,18,23)
InChIKeyFQUSBUMHPNBUDV-UHFFFAOYSA-N
XLogP1.65
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide (CID 19398390) is N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide is CCCNC(=O)c1nn(CC)cc1NC(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is FQUSBUMHPNBUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-6-8-17-16(24)14-12(9-22(7-2)20-14)18-15(23)13-10(3)19-21(5)11(13)4/h9H,6-8H2,1-5H3,(H,17,24)(H,18,23).
What are the key properties of N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide?
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19398390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).