N-[3-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]furan-2-carboxamide

C19H16ClF3N4O3 — CID 55503009

IUPACN-[3-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)CCNC(=O)c2ccco2)n(-c2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C19H16ClF3N4O3/c1-11-9-16(25-17(28)6-7-24-18(29)15-3-2-8-30-15)27(26-11)14-10-12(19(21,22)23)4-5-13(14)20/h2-5,8-10H,6-7H2,1H3,(H,24,29)(H,25,28)
InChIKeyKNTXFDIFUGYZRN-UHFFFAOYSA-N
MW440.81 g/mol
LogP4.20
Rot. Bonds6

About N-[3-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 55503009) has the molecular formula C19H16ClF3N4O3 and a molecular weight of 440.81 g/mol. Its IUPAC name is N-[3-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID55503009
Molecular FormulaC19H16ClF3N4O3
Molecular Weight440.81 g/mol
Exact Mass440.09
IUPAC NameN-[3-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)CCNC(=O)c2ccco2)n(-c2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C19H16ClF3N4O3/c1-11-9-16(25-17(28)6-7-24-18(29)15-3-2-8-30-15)27(26-11)14-10-12(19(21,22)23)4-5-13(14)20/h2-5,8-10H,6-7H2,1H3,(H,24,29)(H,25,28)
InChIKeyKNTXFDIFUGYZRN-UHFFFAOYSA-N
XLogP4.20
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.81
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
N-(2-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzylamino)-2-oxoethyl)furan-2-carboxamide
CID 49862398
3-tert-Butyl-5-{[(furan-2-ylmethyl)-amino]-methyl}-1-phenyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135450638
N-[1-(2-chlorophenyl)-4-(4-morpholinylcarbonyl)-1H-pyrazol-5-yl]-2-furamide
CID 2958516
5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2884384
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]furan-2-carboxamide
CID 2373973
2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide
CID 20944165
N-[2-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-3-yl]furan-2-carboxamide
CID 991528
5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1046525
3,4-dichloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
CID 1056794
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-(furan-2-yl)propanamide
CID 52555202
N-[2-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide
CID 1509192

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]furan-2-carboxamide (CID 55503009) is N-[3-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]furan-2-carboxamide is Cc1cc(NC(=O)CCNC(=O)c2ccco2)n(-c2cc(C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of N-[3-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is KNTXFDIFUGYZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O3/c1-11-9-16(25-17(28)6-7-24-18(29)15-3-2-8-30-15)27(26-11)14-10-12(19(21,22)23)4-5-13(14)20/h2-5,8-10H,6-7H2,1H3,(H,24,29)(H,25,28).
What are the key properties of N-[3-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 440.81 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 55503009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).