N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide

C10H17N3O — CID 39891826

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
SMILESCCn1cc(CNC(=O)C(C)C)cn1
InChIInChI=1S/C10H17N3O/c1-4-13-7-9(6-12-13)5-11-10(14)8(2)3/h6-8H,4-5H2,1-3H3,(H,11,14)
InChIKeyKAVHAULYHJZJIA-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.18
Rot. Bonds4

About N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide

N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide (PubChem CID 39891826) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
PubChem CID39891826
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
SMILESCCn1cc(CNC(=O)C(C)C)cn1
InChIInChI=1S/C10H17N3O/c1-4-13-7-9(6-12-13)5-11-10(14)8(2)3/h6-8H,4-5H2,1-3H3,(H,11,14)
InChIKeyKAVHAULYHJZJIA-UHFFFAOYSA-N
XLogP1.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide (CID 39891826) is N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide is CCn1cc(CNC(=O)C(C)C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide?
The InChIKey is KAVHAULYHJZJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-13-7-9(6-12-13)5-11-10(14)8(2)3/h6-8H,4-5H2,1-3H3,(H,11,14).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide?
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide has a molecular weight of 195.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 39891826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).