N-[[2-(cyclopropylmethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylpropanamide

C13H21N3O2 — CID 121368088

IUPACN-[[2-(cyclopropylmethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylpropanamide
SMILESCc1[nH]n(CC2CC2)c(=O)c1CNC(=O)C(C)C
InChIInChI=1S/C13H21N3O2/c1-8(2)12(17)14-6-11-9(3)15-16(13(11)18)7-10-4-5-10/h8,10,15H,4-7H2,1-3H3,(H,14,17)
InChIKeyZVTNDUKBVOOHES-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.17
Rot. Bonds5

About N-[[2-(cyclopropylmethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylpropanamide

N-[[2-(cyclopropylmethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 121368088) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylpropanamide
PubChem CID121368088
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[[2-(cyclopropylmethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylpropanamide
SMILESCc1[nH]n(CC2CC2)c(=O)c1CNC(=O)C(C)C
InChIInChI=1S/C13H21N3O2/c1-8(2)12(17)14-6-11-9(3)15-16(13(11)18)7-10-4-5-10/h8,10,15H,4-7H2,1-3H3,(H,14,17)
InChIKeyZVTNDUKBVOOHES-UHFFFAOYSA-N
XLogP1.17
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[2-(cyclopropylmethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylpropanamide (CID 121368088) is N-[[2-(cyclopropylmethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[2-(cyclopropylmethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[2-(cyclopropylmethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylpropanamide is Cc1[nH]n(CC2CC2)c(=O)c1CNC(=O)C(C)C.
What is the InChIKey of N-[[2-(cyclopropylmethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is ZVTNDUKBVOOHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)12(17)14-6-11-9(3)15-16(13(11)18)7-10-4-5-10/h8,10,15H,4-7H2,1-3H3,(H,14,17).
What are the key properties of N-[[2-(cyclopropylmethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylpropanamide?
N-[[2-(cyclopropylmethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 121368088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).