1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide

C19H25N3O2 — CID 42818321

IUPAC1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCC2CCCO2)cnn1Cc1ccccc1
InChIInChI=1S/C19H25N3O2/c1-14(2)18-17(19(23)20-11-16-9-6-10-24-16)12-21-22(18)13-15-7-4-3-5-8-15/h3-5,7-8,12,14,16H,6,9-11,13H2,1-2H3,(H,20,23)
InChIKeyDQXCTWVYLUBWLO-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.96
Rot. Bonds6

About 1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide

1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42818321) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID42818321
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCC2CCCO2)cnn1Cc1ccccc1
InChIInChI=1S/C19H25N3O2/c1-14(2)18-17(19(23)20-11-16-9-6-10-24-16)12-21-22(18)13-15-7-4-3-5-8-15/h3-5,7-8,12,14,16H,6,9-11,13H2,1-2H3,(H,20,23)
InChIKeyDQXCTWVYLUBWLO-UHFFFAOYSA-N
XLogP2.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 156601815
1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 24712301
1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
CID 78872899
1-benzyl-5-chloro-3-methyl-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazole-4-carboxamide
CID 26724725
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4586027
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
2-[[(2R)-2-chloropropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92660378
1-chloro-N-(oxolan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765879
2-[[(E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46616574
11-benzyl-2-ethyl-8-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-triene-4-carboxamide
CID 95064262

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 42818321) is 1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)NCC2CCCO2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is DQXCTWVYLUBWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(2)18-17(19(23)20-11-16-9-6-10-24-16)12-21-22(18)13-15-7-4-3-5-8-15/h3-5,7-8,12,14,16H,6,9-11,13H2,1-2H3,(H,20,23).
What are the key properties of 1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide?
1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42818321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).