N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide

C25H24FN5O2 — CID 44543509

IUPACN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CCCc4c3cnn4-c3ccccc3F)n(C)n2)cc1
InChIInChI=1S/C25H24FN5O2/c1-30-24(14-21(29-30)16-10-12-17(33-2)13-11-16)25(32)28-20-7-5-9-22-18(20)15-27-31(22)23-8-4-3-6-19(23)26/h3-4,6,8,10-15,20H,5,7,9H2,1-2H3,(H,28,32)
InChIKeyJDMDWRLYDBPJEO-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.23
Rot. Bonds5

About N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide

N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 44543509) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID44543509
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CCCc4c3cnn4-c3ccccc3F)n(C)n2)cc1
InChIInChI=1S/C25H24FN5O2/c1-30-24(14-21(29-30)16-10-12-17(33-2)13-11-16)25(32)28-20-7-5-9-22-18(20)15-27-31(22)23-8-4-3-6-19(23)26/h3-4,6,8,10-15,20H,5,7,9H2,1-2H3,(H,28,32)
InChIKeyJDMDWRLYDBPJEO-UHFFFAOYSA-N
XLogP4.23
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 44543509) is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NC3CCCc4c3cnn4-c3ccccc3F)n(C)n2)cc1.
What is the InChIKey of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is JDMDWRLYDBPJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-30-24(14-21(29-30)16-10-12-17(33-2)13-11-16)25(32)28-20-7-5-9-22-18(20)15-27-31(22)23-8-4-3-6-19(23)26/h3-4,6,8,10-15,20H,5,7,9H2,1-2H3,(H,28,32).
What are the key properties of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 44543509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).