N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide

C23H25N5O4 — CID 56544293

IUPACN-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1
InChIInChI=1S/C23H25N5O4/c1-15-10-11-19(32-15)21-17(14-28(26-21)16-7-4-3-5-8-16)22(30)25-13-20(29)27-12-6-9-18(27)23(31)24-2/h3-5,7-8,10-11,14,18H,6,9,12-13H2,1-2H3,(H,24,31)(H,25,30)
InChIKeyTXAPDTOLGJLLPZ-UHFFFAOYSA-N
MW435.48 g/mol
LogP1.91
Rot. Bonds6

About N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide

N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 56544293) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID56544293
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1
InChIInChI=1S/C23H25N5O4/c1-15-10-11-19(32-15)21-17(14-28(26-21)16-7-4-3-5-8-16)22(30)25-13-20(29)27-12-6-9-18(27)23(31)24-2/h3-5,7-8,10-11,14,18H,6,9,12-13H2,1-2H3,(H,24,31)(H,25,30)
InChIKeyTXAPDTOLGJLLPZ-UHFFFAOYSA-N
XLogP1.91
TPSA109.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylbutyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31435539
N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 34230439
3-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 51159400
3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 55803900
3-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56534262
N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55339723
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 56544190
1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide
CID 56533931
N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119615448
azepan-1-yl-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 35810069
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55846880
(3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 119379648

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide (CID 56544293) is N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide is CNC(=O)C1CCCN1C(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1.
What is the InChIKey of N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is TXAPDTOLGJLLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-15-10-11-19(32-15)21-17(14-28(26-21)16-7-4-3-5-8-16)22(30)25-13-20(29)27-12-6-9-18(27)23(31)24-2/h3-5,7-8,10-11,14,18H,6,9,12-13H2,1-2H3,(H,24,31)(H,25,30).
What are the key properties of N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 56544293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).