N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C23H24F3N5O4 — CID 58505383

IUPACN-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cc(C(F)(F)F)[nH]n3)c2)o1)C(C)C
InChIInChI=1S/C23H24F3N5O4/c1-12(2)19(22(34)27-3)29-21(33)17-8-7-16(35-17)14-6-4-5-13(9-14)11-28-20(32)15-10-18(31-30-15)23(24,25)26/h4-10,12,19H,11H2,1-3H3,(H,27,34)(H,28,32)(H,29,33)(H,30,31)/t19-/m0/s1
InChIKeyNPFXUJOUGKGDSV-IBGZPJMESA-N
MW491.47 g/mol
LogP3.12
Rot. Bonds8

About N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 58505383) has the molecular formula C23H24F3N5O4 and a molecular weight of 491.47 g/mol. Its IUPAC name is N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID58505383
Molecular FormulaC23H24F3N5O4
Molecular Weight491.47 g/mol
Exact Mass491.18
IUPAC NameN-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cc(C(F)(F)F)[nH]n3)c2)o1)C(C)C
InChIInChI=1S/C23H24F3N5O4/c1-12(2)19(22(34)27-3)29-21(33)17-8-7-16(35-17)14-6-4-5-13(9-14)11-28-20(32)15-10-18(31-30-15)23(24,25)26/h4-10,12,19H,11H2,1-3H3,(H,27,34)(H,28,32)(H,29,33)(H,30,31)/t19-/m0/s1
InChIKeyNPFXUJOUGKGDSV-IBGZPJMESA-N
XLogP3.12
TPSA129.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 58505383) is N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cc(C(F)(F)F)[nH]n3)c2)o1)C(C)C.
What is the InChIKey of N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is NPFXUJOUGKGDSV-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24F3N5O4/c1-12(2)19(22(34)27-3)29-21(33)17-8-7-16(35-17)14-6-4-5-13(9-14)11-28-20(32)15-10-18(31-30-15)23(24,25)26/h4-10,12,19H,11H2,1-3H3,(H,27,34)(H,28,32)(H,29,33)(H,30,31)/t19-/m0/s1.
What are the key properties of N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 491.47 g/mol, XLogP of 3.12, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 58505383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).