N-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide

C11H19N3O — CID 42669809

IUPACN-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCCNC(=O)c1c(C)nn(C)c1C(C)C
InChIInChI=1S/C11H19N3O/c1-6-12-11(15)9-8(4)13-14(5)10(9)7(2)3/h7H,6H2,1-5H3,(H,12,15)
InChIKeyCVCOSAXIBIWNGB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.60
Rot. Bonds3

About N-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide

N-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42669809) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID42669809
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCCNC(=O)c1c(C)nn(C)c1C(C)C
InChIInChI=1S/C11H19N3O/c1-6-12-11(15)9-8(4)13-14(5)10(9)7(2)3/h7H,6H2,1-5H3,(H,12,15)
InChIKeyCVCOSAXIBIWNGB-UHFFFAOYSA-N
XLogP1.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide (CID 42669809) is N-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide is CCNC(=O)c1c(C)nn(C)c1C(C)C.
What is the InChIKey of N-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is CVCOSAXIBIWNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-6-12-11(15)9-8(4)13-14(5)10(9)7(2)3/h7H,6H2,1-5H3,(H,12,15).
What are the key properties of N-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide?
N-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42669809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).