1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane

C23H32N4O2 — CID 142418203

IUPAC1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane
SMILESCC.CC/C=C\c1c(C)cccc1Cn1nc(C(=O)NC)cc1C(=O)NC1CC1
InChIInChI=1S/C21H26N4O2.C2H6/c1-4-5-9-17-14(2)7-6-8-15(17)13-25-19(21(27)23-16-10-11-16)12-18(24-25)20(26)22-3;1-2/h5-9,12,16H,4,10-11,13H2,1-3H3,(H,22,26)(H,23,27);1-2H3/b9-5-;
InChIKeyQWHLTKSCFJRRIW-UYTGOYFPSA-N
MW396.54 g/mol
LogP3.94
Rot. Bonds7

About 1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane

1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane (PubChem CID 142418203) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane.

Molecular Properties

Compound Name1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane
PubChem CID142418203
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane
SMILESCC.CC/C=C\c1c(C)cccc1Cn1nc(C(=O)NC)cc1C(=O)NC1CC1
InChIInChI=1S/C21H26N4O2.C2H6/c1-4-5-9-17-14(2)7-6-8-15(17)13-25-19(21(27)23-16-10-11-16)12-18(24-25)20(26)22-3;1-2/h5-9,12,16H,4,10-11,13H2,1-3H3,(H,22,26)(H,23,27);1-2H3/b9-5-;
InChIKeyQWHLTKSCFJRRIW-UYTGOYFPSA-N
XLogP3.94
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide
CID 142418136
5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide
CID 142417926
1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide
CID 146962352
5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid
CID 117218440
1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide
CID 142418199
5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide
CID 147447652
N-cyclopropyl-2-ethenyl-3-methylbenzamide
CID 169452426
N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109339321
N-cyclopentyl-2-ethenyl-3-methylbenzamide
CID 169452439
N-cyclopentyl-6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109363342
N-cyclopropyl-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109179938
N-cyclopropyl-1,4-dimethylindole-2-carboxamide
CID 110847973

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane?
The IUPAC name of 1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane (CID 142418203) is 1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane.
What is the SMILES notation for 1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane?
The canonical SMILES for 1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane is CC.CC/C=C\c1c(C)cccc1Cn1nc(C(=O)NC)cc1C(=O)NC1CC1.
What is the InChIKey of 1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane?
The InChIKey is QWHLTKSCFJRRIW-UYTGOYFPSA-N. The full InChI is InChI=1S/C21H26N4O2.C2H6/c1-4-5-9-17-14(2)7-6-8-15(17)13-25-19(21(27)23-16-10-11-16)12-18(24-25)20(26)22-3;1-2/h5-9,12,16H,4,10-11,13H2,1-3H3,(H,22,26)(H,23,27);1-2H3/b9-5-;.
What are the key properties of 1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane?
1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane has a molecular weight of 396.54 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane is sourced from PubChem (CID 142418203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).