ethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide

C19H27N3O — CID 143966240

IUPACethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide
SMILESCC.CCN(Cc1cc(-n2cccn2)ccc1C)C(=O)C1CC1
InChIInChI=1S/C17H21N3O.C2H6/c1-3-19(17(21)14-6-7-14)12-15-11-16(8-5-13(15)2)20-10-4-9-18-20;1-2/h4-5,8-11,14H,3,6-7,12H2,1-2H3;1-2H3
InChIKeyBMSBOPVSVYVZLS-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.97
Rot. Bonds5

About ethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide

ethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide (PubChem CID 143966240) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is ethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound Nameethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide
PubChem CID143966240
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Nameethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide
SMILESCC.CCN(Cc1cc(-n2cccn2)ccc1C)C(=O)C1CC1
InChIInChI=1S/C17H21N3O.C2H6/c1-3-19(17(21)14-6-7-14)12-15-11-16(8-5-13(15)2)20-10-4-9-18-20;1-2/h4-5,8-11,14H,3,6-7,12H2,1-2H3;1-2H3
InChIKeyBMSBOPVSVYVZLS-UHFFFAOYSA-N
XLogP3.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of ethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide (CID 143966240) is ethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for ethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for ethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide is CC.CCN(Cc1cc(-n2cccn2)ccc1C)C(=O)C1CC1.
What is the InChIKey of ethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide?
The InChIKey is BMSBOPVSVYVZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.C2H6/c1-3-19(17(21)14-6-7-14)12-15-11-16(8-5-13(15)2)20-10-4-9-18-20;1-2/h4-5,8-11,14H,3,6-7,12H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide?
ethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide has a molecular weight of 313.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 143966240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).