1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

C14H23N3O2 — CID 42818036

IUPAC1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)cnn1C(C)(C)C
InChIInChI=1S/C14H23N3O2/c1-10-12(9-16-17(10)14(2,3)4)13(18)15-8-11-6-5-7-19-11/h9,11H,5-8H2,1-4H3,(H,15,18)
InChIKeyFNDWKBLHXQVHLF-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.86
Rot. Bonds3

About 1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42818036) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID42818036
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)cnn1C(C)(C)C
InChIInChI=1S/C14H23N3O2/c1-10-12(9-16-17(10)14(2,3)4)13(18)15-8-11-6-5-7-19-11/h9,11H,5-8H2,1-4H3,(H,15,18)
InChIKeyFNDWKBLHXQVHLF-UHFFFAOYSA-N
XLogP1.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 46642626
1-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 94237851
5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788877
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236449
6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4586027
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505270
2,3-dimethyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564223
2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110702157
2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2938828

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (CID 42818036) is 1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCC2CCCO2)cnn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is FNDWKBLHXQVHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-12(9-16-17(10)14(2,3)4)13(18)15-8-11-6-5-7-19-11/h9,11H,5-8H2,1-4H3,(H,15,18).
What are the key properties of 1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42818036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).