N-[2-[3-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-methylpyrazole-3-carboxamide

C22H21FN6O — CID 92559229

IUPACN-[2-[3-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(-c3ccc(F)cc3)nn2CCNC(=O)c2ccnn2C)nc1
InChIInChI=1S/C22H21FN6O/c1-15-3-8-18(25-14-15)21-13-19(16-4-6-17(23)7-5-16)27-29(21)12-11-24-22(30)20-9-10-26-28(20)2/h3-10,13-14H,11-12H2,1-2H3,(H,24,30)
InChIKeyJSCDVRQGXDNZRO-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.22
Rot. Bonds6

About N-[2-[3-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-methylpyrazole-3-carboxamide

N-[2-[3-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 92559229) has the molecular formula C22H21FN6O and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-methylpyrazole-3-carboxamide
PubChem CID92559229
Molecular FormulaC22H21FN6O
Molecular Weight404.45 g/mol
Exact Mass404.18
IUPAC NameN-[2-[3-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(-c3ccc(F)cc3)nn2CCNC(=O)c2ccnn2C)nc1
InChIInChI=1S/C22H21FN6O/c1-15-3-8-18(25-14-15)21-13-19(16-4-6-17(23)7-5-16)27-29(21)12-11-24-22(30)20-9-10-26-28(20)2/h3-10,13-14H,11-12H2,1-2H3,(H,24,30)
InChIKeyJSCDVRQGXDNZRO-UHFFFAOYSA-N
XLogP3.22
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-methylpyrazole-3-carboxamide (CID 92559229) is N-[2-[3-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-methylpyrazole-3-carboxamide is Cc1ccc(-c2cc(-c3ccc(F)cc3)nn2CCNC(=O)c2ccnn2C)nc1.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is JSCDVRQGXDNZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O/c1-15-3-8-18(25-14-15)21-13-19(16-4-6-17(23)7-5-16)27-29(21)12-11-24-22(30)20-9-10-26-28(20)2/h3-10,13-14H,11-12H2,1-2H3,(H,24,30).
What are the key properties of N-[2-[3-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-methylpyrazole-3-carboxamide?
N-[2-[3-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 92559229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).