5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide

C19H23N3O2 — CID 110372655

IUPAC5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)NCC3CCCO3)cc2C2CC2)c1
InChIInChI=1S/C19H23N3O2/c1-13-4-2-5-15(10-13)22-18(14-7-8-14)11-17(21-22)19(23)20-12-16-6-3-9-24-16/h2,4-5,10-11,14,16H,3,6-9,12H2,1H3,(H,20,23)
InChIKeyYQEPQNIXIPYNFD-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.97
Rot. Bonds5

About 5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide

5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 110372655) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID110372655
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)NCC3CCCO3)cc2C2CC2)c1
InChIInChI=1S/C19H23N3O2/c1-13-4-2-5-15(10-13)22-18(14-7-8-14)11-17(21-22)19(23)20-12-16-6-3-9-24-16/h2,4-5,10-11,14,16H,3,6-9,12H2,1H3,(H,20,23)
InChIKeyYQEPQNIXIPYNFD-UHFFFAOYSA-N
XLogP2.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide
CID 27261475
2-(3-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazine-6-carboxamide
CID 93159315
1-(3-methylphenyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 42820453
2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096140
[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 110372651
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide
CID 31883567
2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
CID 4535707
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N'-[2-(3-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41427020
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44763707
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (CID 110372655) is 5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is Cc1cccc(-n2nc(C(=O)NCC3CCCO3)cc2C2CC2)c1.
What is the InChIKey of 5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is YQEPQNIXIPYNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-4-2-5-15(10-13)22-18(14-7-8-14)11-17(21-22)19(23)20-12-16-6-3-9-24-16/h2,4-5,10-11,14,16H,3,6-9,12H2,1H3,(H,20,23).
What are the key properties of 5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110372655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).