3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide

C17H21N3O2 — CID 18161045

IUPAC3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESCOCC(C)NC(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-12(11-22-2)18-17(21)16-10-15(13-8-9-13)19-20(16)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,18,21)
InChIKeyGRBYENKLBVQNGS-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.51
Rot. Bonds6

About 3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide (PubChem CID 18161045) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide
PubChem CID18161045
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESCOCC(C)NC(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-12(11-22-2)18-17(21)16-10-15(13-8-9-13)19-20(16)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,18,21)
InChIKeyGRBYENKLBVQNGS-UHFFFAOYSA-N
XLogP2.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 8998852
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CID 42916203
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42949053
3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide
CID 9291418
3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 9406513
3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide
CID 71709246
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide
CID 41078982
N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
CID 86292051
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 26737011

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide (CID 18161045) is 3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide is COCC(C)NC(=O)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is GRBYENKLBVQNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(11-22-2)18-17(21)16-10-15(13-8-9-13)19-20(16)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,18,21).
What are the key properties of 3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 18161045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).