N-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C25H24FN5O — CID 91800712

IUPACN-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCN(Cc1ccncc1)Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1
InChIInChI=1S/C25H24FN5O/c1-2-31(17-19-11-13-27-14-12-19)16-18-3-9-22(10-4-18)28-25(32)24-15-23(29-30-24)20-5-7-21(26)8-6-20/h3-15H,2,16-17H2,1H3,(H,28,32)(H,29,30)
InChIKeyFEUNZBRIYWDLLB-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.89
Rot. Bonds8

About N-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 91800712) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID91800712
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC NameN-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCN(Cc1ccncc1)Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1
InChIInChI=1S/C25H24FN5O/c1-2-31(17-19-11-13-27-14-12-19)16-18-3-9-22(10-4-18)28-25(32)24-15-23(29-30-24)20-5-7-21(26)8-6-20/h3-15H,2,16-17H2,1H3,(H,28,32)(H,29,30)
InChIKeyFEUNZBRIYWDLLB-UHFFFAOYSA-N
XLogP4.89
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 91800712) is N-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is CCN(Cc1ccncc1)Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1.
What is the InChIKey of N-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FEUNZBRIYWDLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-2-31(17-19-11-13-27-14-12-19)16-18-3-9-22(10-4-18)28-25(32)24-15-23(29-30-24)20-5-7-21(26)8-6-20/h3-15H,2,16-17H2,1H3,(H,28,32)(H,29,30).
What are the key properties of N-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91800712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).