3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide

C16H19N3O2 — CID 19510216

IUPAC3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC3CCCO3)[nH]n2)cc1
InChIInChI=1S/C16H19N3O2/c1-11-4-6-12(7-5-11)14-9-15(19-18-14)16(20)17-10-13-3-2-8-21-13/h4-7,9,13H,2-3,8,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyBMNUPDDDPITGDA-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.29
Rot. Bonds4

About 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide

3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 19510216) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID19510216
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC3CCCO3)[nH]n2)cc1
InChIInChI=1S/C16H19N3O2/c1-11-4-6-12(7-5-11)14-9-15(19-18-14)16(20)17-10-13-3-2-8-21-13/h4-7,9,13H,2-3,8,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyBMNUPDDDPITGDA-UHFFFAOYSA-N
XLogP2.29
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 20918075
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 95369014
5-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 1093775
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 40649827
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 7920218
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 30479133
3-(4-bromophenyl)-N-[(4-cyclopropylmorpholin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 86953679
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 19510216) is 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NCC3CCCO3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is BMNUPDDDPITGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-4-6-12(7-5-11)14-9-15(19-18-14)16(20)17-10-13-3-2-8-21-13/h4-7,9,13H,2-3,8,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19510216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).