N-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide

C25H25N5O3 — CID 56550790

IUPACN-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H25N5O3/c1-16-10-11-17(14-18(16)27-24(32)19-8-7-13-33-19)23(31)28-22-15-20(25(2,3)4)29-30(22)21-9-5-6-12-26-21/h5-15H,1-4H3,(H,27,32)(H,28,31)
InChIKeyHDROCXUIJRFIBR-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.97
Rot. Bonds5

About N-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 56550790) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID56550790
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC NameN-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H25N5O3/c1-16-10-11-17(14-18(16)27-24(32)19-8-7-13-33-19)23(31)28-22-15-20(25(2,3)4)29-30(22)21-9-5-6-12-26-21/h5-15H,1-4H3,(H,27,32)(H,28,31)
InChIKeyHDROCXUIJRFIBR-UHFFFAOYSA-N
XLogP4.97
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 56550411
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 56550578
N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 75512395
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 56550919
N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 56522910
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 56551244
(2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide
CID 95279930
N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78772109
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 56531728
N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 26665761
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 56550790) is N-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is HDROCXUIJRFIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-16-10-11-17(14-18(16)27-24(32)19-8-7-13-33-19)23(31)28-22-15-20(25(2,3)4)29-30(22)21-9-5-6-12-26-21/h5-15H,1-4H3,(H,27,32)(H,28,31).
What are the key properties of N-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 56550790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).