5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide

C19H17Cl2N3O2 — CID 55606584

IUPAC5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCc1ccco1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C19H17Cl2N3O2/c20-13-5-6-17(16(21)10-13)24-18(12-3-4-12)15(11-23-24)19(25)22-8-7-14-2-1-9-26-14/h1-2,5-6,9-12H,3-4,7-8H2,(H,22,25)
InChIKeyWLHIHMZINTVDRP-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.62
Rot. Bonds6

About 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide

5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 55606584) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
PubChem CID55606584
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCc1ccco1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C19H17Cl2N3O2/c20-13-5-6-17(16(21)10-13)24-18(12-3-4-12)15(11-23-24)19(25)22-8-7-14-2-1-9-26-14/h1-2,5-6,9-12H,3-4,7-8H2,(H,22,25)
InChIKeyWLHIHMZINTVDRP-UHFFFAOYSA-N
XLogP4.62
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56558481
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]pyrazole-4-carboxamide
CID 55609258
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 39518259
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-(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-(1-methoxypropan-2-yl)pyrazole-4-carboxamide
CID 55604750
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-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide
CID 55604519
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
CID 55877479
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide
CID 86806324
[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol
CID 66438989

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide (CID 55606584) is 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide is O=C(NCCc1ccco1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is WLHIHMZINTVDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c20-13-5-6-17(16(21)10-13)24-18(12-3-4-12)15(11-23-24)19(25)22-8-7-14-2-1-9-26-14/h1-2,5-6,9-12H,3-4,7-8H2,(H,22,25).
What are the key properties of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide?
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 390.27 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55606584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).