ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate

C18H20Cl2N4O3 — CID 56558481

IUPACethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C18H20Cl2N4O3/c1-2-27-18(26)22-8-7-21-17(25)13-10-23-24(16(13)11-3-4-11)15-6-5-12(19)9-14(15)20/h5-6,9-11H,2-4,7-8H2,1H3,(H,21,25)(H,22,26)
InChIKeyUEJMCASHSVVDCK-UHFFFAOYSA-N
MW411.29 g/mol
LogP3.53
Rot. Bonds7

About ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate

ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate (PubChem CID 56558481) has the molecular formula C18H20Cl2N4O3 and a molecular weight of 411.29 g/mol. Its IUPAC name is ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
PubChem CID56558481
Molecular FormulaC18H20Cl2N4O3
Molecular Weight411.29 g/mol
Exact Mass410.09
IUPAC Nameethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C18H20Cl2N4O3/c1-2-27-18(26)22-8-7-21-17(25)13-10-23-24(16(13)11-3-4-11)15-6-5-12(19)9-14(15)20/h5-6,9-11H,2-4,7-8H2,1H3,(H,21,25)(H,22,26)
InChIKeyUEJMCASHSVVDCK-UHFFFAOYSA-N
XLogP3.53
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate
CID 95782154
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
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)pyrazole-4-carboxamide
CID 55604750
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide
CID 86806324
ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate
CID 108573417
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 55795529
5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide
CID 55616369
N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 55982898
5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide
CID 55629182
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119503054
ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate
CID 22267580

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate (CID 56558481) is ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate is CCOC(=O)NCCNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1.
What is the InChIKey of ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate?
The InChIKey is UEJMCASHSVVDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O3/c1-2-27-18(26)22-8-7-21-17(25)13-10-23-24(16(13)11-3-4-11)15-6-5-12(19)9-14(15)20/h5-6,9-11H,2-4,7-8H2,1H3,(H,21,25)(H,22,26).
What are the key properties of ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate?
ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate has a molecular weight of 411.29 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 56558481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).