N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-fluoro-1H-indazole-3-carboxamide

C19H13FN6O — CID 71259750

IUPACN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-fluoro-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(F)ccc34)cn2)c1
InChIInChI=1S/C19H13FN6O/c20-14-4-5-16-17(7-14)24-25-18(16)19(27)23-15-9-22-26(11-15)10-13-3-1-2-12(6-13)8-21/h1-7,9,11H,10H2,(H,23,27)(H,24,25)
InChIKeyOXKQJWWSFUHRKR-UHFFFAOYSA-N
MW360.35 g/mol
LogP3.07
Rot. Bonds4

About N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-fluoro-1H-indazole-3-carboxamide

N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-fluoro-1H-indazole-3-carboxamide (PubChem CID 71259750) has the molecular formula C19H13FN6O and a molecular weight of 360.35 g/mol. Its IUPAC name is N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-fluoro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-fluoro-1H-indazole-3-carboxamide
PubChem CID71259750
Molecular FormulaC19H13FN6O
Molecular Weight360.35 g/mol
Exact Mass360.11
IUPAC NameN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-fluoro-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(F)ccc34)cn2)c1
InChIInChI=1S/C19H13FN6O/c20-14-4-5-16-17(7-14)24-25-18(16)19(27)23-15-9-22-26(11-15)10-13-3-1-2-12(6-13)8-21/h1-7,9,11H,10H2,(H,23,27)(H,24,25)
InChIKeyOXKQJWWSFUHRKR-UHFFFAOYSA-N
XLogP3.07
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-fluoro-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-fluoro-1H-indazole-3-carboxamide (CID 71259750) is N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-fluoro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-fluoro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-fluoro-1H-indazole-3-carboxamide is N#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(F)ccc34)cn2)c1.
What is the InChIKey of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-fluoro-1H-indazole-3-carboxamide?
The InChIKey is OXKQJWWSFUHRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6O/c20-14-4-5-16-17(7-14)24-25-18(16)19(27)23-15-9-22-26(11-15)10-13-3-1-2-12(6-13)8-21/h1-7,9,11H,10H2,(H,23,27)(H,24,25).
What are the key properties of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-fluoro-1H-indazole-3-carboxamide?
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-fluoro-1H-indazole-3-carboxamide has a molecular weight of 360.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-fluoro-1H-indazole-3-carboxamide is sourced from PubChem (CID 71259750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).