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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Related Compounds

ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol
CID 143966234
2-methyl-5-pyrazol-1-ylbenzamide
CID 68604626
1-(3-benzyl-4-methylphenyl)pyrazole
CID 58508496
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide
CID 77078809
4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149430
2-cyclopropyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]propanamide
CID 136572601
N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 78852719
N-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 162535537
3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 61010480
N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]oxolane-3-carboxamide
CID 70740916
2-[6-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-2-pyridinyl]acetic acid
CID 58565184
1-(3-chloro-4-ethylphenyl)pyrazole
CID 70883363

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).