N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide

C24H24Cl2N4O2 — CID 34337638

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
SMILESCCN(Cc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C2CC2)c1)C(C)=O
InChIInChI=1S/C24H24Cl2N4O2/c1-3-29(15(2)31)14-16-5-4-6-19(11-16)28-24(32)20-13-27-30(23(20)17-7-8-17)22-10-9-18(25)12-21(22)26/h4-6,9-13,17H,3,7-8,14H2,1-2H3,(H,28,32)
InChIKeyOFUREHLVKFTUQW-UHFFFAOYSA-N
MW471.39 g/mol
LogP5.68
Rot. Bonds7

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide (PubChem CID 34337638) has the molecular formula C24H24Cl2N4O2 and a molecular weight of 471.39 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
PubChem CID34337638
Molecular FormulaC24H24Cl2N4O2
Molecular Weight471.39 g/mol
Exact Mass470.13
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
SMILESCCN(Cc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C2CC2)c1)C(C)=O
InChIInChI=1S/C24H24Cl2N4O2/c1-3-29(15(2)31)14-16-5-4-6-19(11-16)28-24(32)20-13-27-30(23(20)17-7-8-17)22-10-9-18(25)12-21(22)26/h4-6,9-13,17H,3,7-8,14H2,1-2H3,(H,28,32)
InChIKeyOFUREHLVKFTUQW-UHFFFAOYSA-N
XLogP5.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.39
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
CID 55877479
N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 55982898
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide
CID 55604519
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide
CID 60511474
ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56558481
1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924053
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)pyrazole-4-carboxamide
CID 55604750
propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate
CID 95782154
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55687537
5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide
CID 55616369
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]pyrazole-4-carboxamide
CID 55609258
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
CID 55606584

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide (CID 34337638) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide is CCN(Cc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C2CC2)c1)C(C)=O.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide?
The InChIKey is OFUREHLVKFTUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O2/c1-3-29(15(2)31)14-16-5-4-6-19(11-16)28-24(32)20-13-27-30(23(20)17-7-8-17)22-10-9-18(25)12-21(22)26/h4-6,9-13,17H,3,7-8,14H2,1-2H3,(H,28,32).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide has a molecular weight of 471.39 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 34337638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).