N,3-dicyclopropyl-5-ethyl-1-methylpyrazole-4-carboxamide

C13H19N3O — CID 42820307

IUPACN,3-dicyclopropyl-5-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CC2)c(C2CC2)nn1C
InChIInChI=1S/C13H19N3O/c1-3-10-11(13(17)14-9-6-7-9)12(8-4-5-8)15-16(10)2/h8-9H,3-7H2,1-2H3,(H,14,17)
InChIKeyIQGHEEKVXJHZRH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.75
Rot. Bonds4

About N,3-dicyclopropyl-5-ethyl-1-methylpyrazole-4-carboxamide

N,3-dicyclopropyl-5-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 42820307) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N,3-dicyclopropyl-5-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dicyclopropyl-5-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID42820307
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN,3-dicyclopropyl-5-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CC2)c(C2CC2)nn1C
InChIInChI=1S/C13H19N3O/c1-3-10-11(13(17)14-9-6-7-9)12(8-4-5-8)15-16(10)2/h8-9H,3-7H2,1-2H3,(H,14,17)
InChIKeyIQGHEEKVXJHZRH-UHFFFAOYSA-N
XLogP1.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dicyclopropyl-5-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N,3-dicyclopropyl-5-ethyl-1-methylpyrazole-4-carboxamide (CID 42820307) is N,3-dicyclopropyl-5-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N,3-dicyclopropyl-5-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N,3-dicyclopropyl-5-ethyl-1-methylpyrazole-4-carboxamide is CCc1c(C(=O)NC2CC2)c(C2CC2)nn1C.
What is the InChIKey of N,3-dicyclopropyl-5-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is IQGHEEKVXJHZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-10-11(13(17)14-9-6-7-9)12(8-4-5-8)15-16(10)2/h8-9H,3-7H2,1-2H3,(H,14,17).
What are the key properties of N,3-dicyclopropyl-5-ethyl-1-methylpyrazole-4-carboxamide?
N,3-dicyclopropyl-5-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dicyclopropyl-5-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 42820307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).