5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide

C17H21N3O2 — CID 42949053

IUPAC5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCOCC(C)NC(=O)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C17H21N3O2/c1-12(11-22-2)19-17(21)15-10-18-20(16(15)13-8-9-13)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,19,21)
InChIKeyKGMNNYWPSWEJLX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.51
Rot. Bonds6

About 5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide

5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 42949053) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID42949053
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCOCC(C)NC(=O)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C17H21N3O2/c1-12(11-22-2)19-17(21)15-10-18-20(16(15)13-8-9-13)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,19,21)
InChIKeyKGMNNYWPSWEJLX-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

5-cyclopropyl-N-(1-cyclopropyl-2-methoxyethyl)-1-phenylpyrazole-4-carboxamide
CID 139012188
N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120505954
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)pyrazole-4-carboxamide
CID 55604750
3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18161045
3-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]butanoic acid
CID 119220762
N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119498276
5-cyclopropyl-1-phenyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide
CID 112827858
5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
CID 14118804
N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31887874
5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 99817467
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647191
N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119477727

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide (CID 42949053) is 5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide is COCC(C)NC(=O)c1cnn(-c2ccccc2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is KGMNNYWPSWEJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(11-22-2)19-17(21)15-10-18-20(16(15)13-8-9-13)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,19,21).
What are the key properties of 5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide?
5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-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 5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 42949053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).