N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide

C12H19N3O2 — CID 146131521

IUPACN-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C12H19N3O2/c1-9(2)15-6-5-11(14-15)12(16)13-8-10-4-3-7-17-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,16)
InChIKeyGDWLJLXVAJCWBK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.37
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide

N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 146131521) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID146131521
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C12H19N3O2/c1-9(2)15-6-5-11(14-15)12(16)13-8-10-4-3-7-17-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,16)
InChIKeyGDWLJLXVAJCWBK-UHFFFAOYSA-N
XLogP1.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 146125697
N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 122132066
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 94676392
N-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 125144193
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 35327127
N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244860
2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096180
2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386
N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75490780
N-[[(2R)-oxolan-2-yl]methyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 97497055
6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide
CID 31883567

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide (CID 146131521) is N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1ccc(C(=O)NCC2CCCO2)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is GDWLJLXVAJCWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)15-6-5-11(14-15)12(16)13-8-10-4-3-7-17-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,16).
What are the key properties of N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide?
N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 146131521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).