5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide

C17H21N3O2 — CID 38579323

IUPAC5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
SMILESCN(CCCOc1ccccc1)C(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H21N3O2/c1-20(10-5-11-22-14-6-3-2-4-7-14)17(21)16-12-15(18-19-16)13-8-9-13/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,18,19)
InChIKeyUUJRGCJOFHQHHI-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.83
Rot. Bonds7

About 5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide (PubChem CID 38579323) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
PubChem CID38579323
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
SMILESCN(CCCOc1ccccc1)C(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H21N3O2/c1-20(10-5-11-22-14-6-3-2-4-7-14)17(21)16-12-15(18-19-16)13-8-9-13/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,18,19)
InChIKeyUUJRGCJOFHQHHI-UHFFFAOYSA-N
XLogP2.83
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(3-phenoxypropyl)-2H-triazole-4-carboxamide
CID 112733409
3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide
CID 64524057
6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 103875146
5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222313
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
N-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 120884921
4-[methyl(3-phenoxypropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672844
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide
CID 42510788
5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 51097092
N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 106739374
N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56749227
(2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid
CID 129414956

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide (CID 38579323) is 5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide is CN(CCCOc1ccccc1)C(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is UUJRGCJOFHQHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20(10-5-11-22-14-6-3-2-4-7-14)17(21)16-12-15(18-19-16)13-8-9-13/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,18,19).
What are the key properties of 5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 38579323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).