N-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide

C25H20F2N6O3 — CID 162658849

IUPACN-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESNc1ccccc1NC(=O)Cc1ccc(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C25H20F2N6O3/c26-16-4-3-5-17(27)22(16)24(35)32-20-13-29-33-23(20)25(36)30-15-10-8-14(9-11-15)12-21(34)31-19-7-2-1-6-18(19)28/h1-11,13H,12,28H2,(H,29,33)(H,30,36)(H,31,34)(H,32,35)
InChIKeyUFDNTTYCONJEOJ-UHFFFAOYSA-N
MW490.47 g/mol
LogP3.96
Rot. Bonds7

About N-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide

N-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 162658849) has the molecular formula C25H20F2N6O3 and a molecular weight of 490.47 g/mol. Its IUPAC name is N-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID162658849
Molecular FormulaC25H20F2N6O3
Molecular Weight490.47 g/mol
Exact Mass490.16
IUPAC NameN-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESNc1ccccc1NC(=O)Cc1ccc(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C25H20F2N6O3/c26-16-4-3-5-17(27)22(16)24(35)32-20-13-29-33-23(20)25(36)30-15-10-8-14(9-11-15)12-21(34)31-19-7-2-1-6-18(19)28/h1-11,13H,12,28H2,(H,29,33)(H,30,36)(H,31,34)(H,32,35)
InChIKeyUFDNTTYCONJEOJ-UHFFFAOYSA-N
XLogP3.96
TPSA142.00 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.47
LogP ≤ 53.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,6-difluorobenzoyl)amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 24864079
ethyl 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 59733474
4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 59733435
N-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide
CID 69380891
N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-2-carboxamide
CID 59733537
4-[(2,6-difluorobenzoyl)amino]-N-(2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 70304735
N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide
CID 134533298
4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 59733368
N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162236390
4-[(2,6-difluorobenzoyl)amino]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 59733451
4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide
CID 59733429
N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
CID 114310878

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 162658849) is N-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide is Nc1ccccc1NC(=O)Cc1ccc(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of N-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is UFDNTTYCONJEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6O3/c26-16-4-3-5-17(27)22(16)24(35)32-20-13-29-33-23(20)25(36)30-15-10-8-14(9-11-15)12-21(34)31-19-7-2-1-6-18(19)28/h1-11,13H,12,28H2,(H,29,33)(H,30,36)(H,31,34)(H,32,35).
What are the key properties of N-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 490.47 g/mol, XLogP of 3.96, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 162658849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).