N-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide

C23H20F5N5O — CID 57382820

IUPACN-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide
SMILESO=C(N/C(=N/C1CCCC1)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H20F5N5O/c24-16-9-14(10-17(25)11-16)19-12-20(33-32-19)30-22(29-18-3-1-2-4-18)31-21(34)13-5-7-15(8-6-13)23(26,27)28/h5-12,18H,1-4H2,(H3,29,30,31,32,33,34)
InChIKeyAAJLRISKALAHPR-UHFFFAOYSA-N
MW477.44 g/mol
LogP5.51
Rot. Bonds4

About N-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide

N-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide (PubChem CID 57382820) has the molecular formula C23H20F5N5O and a molecular weight of 477.44 g/mol. Its IUPAC name is N-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide
PubChem CID57382820
Molecular FormulaC23H20F5N5O
Molecular Weight477.44 g/mol
Exact Mass477.16
IUPAC NameN-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide
SMILESO=C(N/C(=N/C1CCCC1)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H20F5N5O/c24-16-9-14(10-17(25)11-16)19-12-20(33-32-19)30-22(29-18-3-1-2-4-18)31-21(34)13-5-7-15(8-6-13)23(26,27)28/h5-12,18H,1-4H2,(H3,29,30,31,32,33,34)
InChIKeyAAJLRISKALAHPR-UHFFFAOYSA-N
XLogP5.51
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.44
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-fluorophenyl)phenyl]acetamide
CID 5331004
3-Phenylacetamidoaminopyrazole deriv. 39
CID 6538741
N1-(3-phenyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 339733
N1-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 339735
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
2,4-difluoro-N-[[(5-methyl-1H-pyrazol-3-yl)amino]-oxomethyl]benzamide
CID 671564
N-(2,5-Diphenyl-2H-pyrazol-3-yl)-3-fluoro-benzamide
CID 11451163
3-trifluoromethyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11675856
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 11222596
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 11246786
2-(4-Fluorobenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11508531

Frequently Asked Questions

What is the IUPAC name of N-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide (CID 57382820) is N-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide is O=C(N/C(=N/C1CCCC1)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide?
The InChIKey is AAJLRISKALAHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F5N5O/c24-16-9-14(10-17(25)11-16)19-12-20(33-32-19)30-22(29-18-3-1-2-4-18)31-21(34)13-5-7-15(8-6-13)23(26,27)28/h5-12,18H,1-4H2,(H3,29,30,31,32,33,34).
What are the key properties of N-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide?
N-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide has a molecular weight of 477.44 g/mol, XLogP of 5.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 57382820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).