N-[4-[5-(2,5-difluorophenyl)-2-(ethylcarbamoyl)-3-phenyl-4H-pyrazol-3-yl]butyl]pyridine-2-carboxamide

C28H29F2N5O2 — CID 24901507

IUPACN-[4-[5-(2,5-difluorophenyl)-2-(ethylcarbamoyl)-3-phenyl-4H-pyrazol-3-yl]butyl]pyridine-2-carboxamide
SMILESCCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CCCCNC(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C28H29F2N5O2/c1-2-31-27(37)35-28(20-10-4-3-5-11-20,19-25(34-35)22-18-21(29)13-14-23(22)30)15-7-9-17-33-26(36)24-12-6-8-16-32-24/h3-6,8,10-14,16,18H,2,7,9,15,17,19H2,1H3,(H,31,37)(H,33,36)
InChIKeyLSUCOXDOQAEXKL-UHFFFAOYSA-N
MW505.57 g/mol
LogP4.99
Rot. Bonds9

About N-[4-[5-(2,5-difluorophenyl)-2-(ethylcarbamoyl)-3-phenyl-4H-pyrazol-3-yl]butyl]pyridine-2-carboxamide

N-[4-[5-(2,5-difluorophenyl)-2-(ethylcarbamoyl)-3-phenyl-4H-pyrazol-3-yl]butyl]pyridine-2-carboxamide (PubChem CID 24901507) has the molecular formula C28H29F2N5O2 and a molecular weight of 505.57 g/mol. Its IUPAC name is N-[4-[5-(2,5-difluorophenyl)-2-(ethylcarbamoyl)-3-phenyl-4H-pyrazol-3-yl]butyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(2,5-difluorophenyl)-2-(ethylcarbamoyl)-3-phenyl-4H-pyrazol-3-yl]butyl]pyridine-2-carboxamide
PubChem CID24901507
Molecular FormulaC28H29F2N5O2
Molecular Weight505.57 g/mol
Exact Mass505.23
IUPAC NameN-[4-[5-(2,5-difluorophenyl)-2-(ethylcarbamoyl)-3-phenyl-4H-pyrazol-3-yl]butyl]pyridine-2-carboxamide
SMILESCCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CCCCNC(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C28H29F2N5O2/c1-2-31-27(37)35-28(20-10-4-3-5-11-20,19-25(34-35)22-18-21(29)13-14-23(22)30)15-7-9-17-33-26(36)24-12-6-8-16-32-24/h3-6,8,10-14,16,18H,2,7,9,15,17,19H2,1H3,(H,31,37)(H,33,36)
InChIKeyLSUCOXDOQAEXKL-UHFFFAOYSA-N
XLogP4.99
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.57
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2,5-difluorophenyl)-2-(ethylcarbamoyl)-3-phenyl-4H-pyrazol-3-yl]butyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[5-(2,5-difluorophenyl)-2-(ethylcarbamoyl)-3-phenyl-4H-pyrazol-3-yl]butyl]pyridine-2-carboxamide (CID 24901507) is N-[4-[5-(2,5-difluorophenyl)-2-(ethylcarbamoyl)-3-phenyl-4H-pyrazol-3-yl]butyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[5-(2,5-difluorophenyl)-2-(ethylcarbamoyl)-3-phenyl-4H-pyrazol-3-yl]butyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[5-(2,5-difluorophenyl)-2-(ethylcarbamoyl)-3-phenyl-4H-pyrazol-3-yl]butyl]pyridine-2-carboxamide is CCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CCCCNC(=O)c1ccccn1)c1ccccc1.
What is the InChIKey of N-[4-[5-(2,5-difluorophenyl)-2-(ethylcarbamoyl)-3-phenyl-4H-pyrazol-3-yl]butyl]pyridine-2-carboxamide?
The InChIKey is LSUCOXDOQAEXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N5O2/c1-2-31-27(37)35-28(20-10-4-3-5-11-20,19-25(34-35)22-18-21(29)13-14-23(22)30)15-7-9-17-33-26(36)24-12-6-8-16-32-24/h3-6,8,10-14,16,18H,2,7,9,15,17,19H2,1H3,(H,31,37)(H,33,36).
What are the key properties of N-[4-[5-(2,5-difluorophenyl)-2-(ethylcarbamoyl)-3-phenyl-4H-pyrazol-3-yl]butyl]pyridine-2-carboxamide?
N-[4-[5-(2,5-difluorophenyl)-2-(ethylcarbamoyl)-3-phenyl-4H-pyrazol-3-yl]butyl]pyridine-2-carboxamide has a molecular weight of 505.57 g/mol, XLogP of 4.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2,5-difluorophenyl)-2-(ethylcarbamoyl)-3-phenyl-4H-pyrazol-3-yl]butyl]pyridine-2-carboxamide is sourced from PubChem (CID 24901507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).