4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide

C17H19F2N5O3 — CID 59733429

IUPAC4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H19F2N5O3/c18-11-2-1-3-12(19)14(11)16(25)22-13-10-21-23-15(13)17(26)20-4-5-24-6-8-27-9-7-24/h1-3,10H,4-9H2,(H,20,26)(H,21,23)(H,22,25)
InChIKeyLXHBHYDLWSUDPM-UHFFFAOYSA-N
MW379.37 g/mol
LogP1.00
Rot. Bonds6

About 4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide

4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 59733429) has the molecular formula C17H19F2N5O3 and a molecular weight of 379.37 g/mol. Its IUPAC name is 4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide
PubChem CID59733429
Molecular FormulaC17H19F2N5O3
Molecular Weight379.37 g/mol
Exact Mass379.15
IUPAC Name4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H19F2N5O3/c18-11-2-1-3-12(19)14(11)16(25)22-13-10-21-23-15(13)17(26)20-4-5-24-6-8-27-9-7-24/h1-3,10H,4-9H2,(H,20,26)(H,21,23)(H,22,25)
InChIKeyLXHBHYDLWSUDPM-UHFFFAOYSA-N
XLogP1.00
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,6-difluorobenzoyl)amino]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 59733451
4-[[2,6-difluoro-3-[3-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 162664821
4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 59733368
4-fluoro-2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 118913406
4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 59733467
4-[(2,6-difluorobenzoyl)amino]-N-(2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 70304735
4-[(2,6-difluorobenzoyl)amino]-N-[4-(oxan-3-ylmethyl)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58094699
N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162236390
N-[1-(6-chloro-2-pyridinyl)piperidin-4-yl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 59733311
2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 27241616
N-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185855
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide (CID 59733429) is 4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide is O=C(NCCN1CCOCC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of 4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is LXHBHYDLWSUDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O3/c18-11-2-1-3-12(19)14(11)16(25)22-13-10-21-23-15(13)17(26)20-4-5-24-6-8-27-9-7-24/h1-3,10H,4-9H2,(H,20,26)(H,21,23)(H,22,25).
What are the key properties of 4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide?
4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59733429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).