N-ethyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide

C10H17N3O — CID 42669806

IUPACN-ethyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(C)c1C(C)C
InChIInChI=1S/C10H17N3O/c1-5-11-10(14)8-6-12-13(4)9(8)7(2)3/h6-7H,5H2,1-4H3,(H,11,14)
InChIKeyBBMBDABTPMEDIO-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.29
Rot. Bonds3

About N-ethyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide

N-ethyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42669806) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-ethyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID42669806
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-ethyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(C)c1C(C)C
InChIInChI=1S/C10H17N3O/c1-5-11-10(14)8-6-12-13(4)9(8)7(2)3/h6-7H,5H2,1-4H3,(H,11,14)
InChIKeyBBMBDABTPMEDIO-UHFFFAOYSA-N
XLogP1.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide (CID 42669806) is N-ethyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide is CCNC(=O)c1cnn(C)c1C(C)C.
What is the InChIKey of N-ethyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is BBMBDABTPMEDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-5-11-10(14)8-6-12-13(4)9(8)7(2)3/h6-7H,5H2,1-4H3,(H,11,14).
What are the key properties of N-ethyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide?
N-ethyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42669806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).