N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide

C19H13FN6O — CID 71259814

IUPACN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4ccc(F)cc34)cn2)c1
InChIInChI=1S/C19H13FN6O/c20-14-4-5-17-16(7-14)18(25-24-17)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)
InChIKeySOJFSVUWJBUZGQ-UHFFFAOYSA-N
MW360.35 g/mol
LogP3.07
Rot. Bonds4

About N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide

N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide (PubChem CID 71259814) 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]-5-fluoro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide
PubChem CID71259814
Molecular FormulaC19H13FN6O
Molecular Weight360.35 g/mol
Exact Mass360.11
IUPAC NameN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4ccc(F)cc34)cn2)c1
InChIInChI=1S/C19H13FN6O/c20-14-4-5-17-16(7-14)18(25-24-17)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)
InChIKeySOJFSVUWJBUZGQ-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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Related Compounds

6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259500
3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19411687
N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259778
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259606
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 156596108
N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 123936431
5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide
CID 60905939
2-amino-3-[3-[(5-fluoro-1H-indazole-3-carbonyl)amino]phenyl]propanoic acid
CID 167989101
N-(3-cyanophenyl)-1H-indazole-3-carboxamide
CID 40711329
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 60905133
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-cyanobenzamide
CID 19404043

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide (CID 71259814) is N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide is N#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4ccc(F)cc34)cn2)c1.
What is the InChIKey of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide?
The InChIKey is SOJFSVUWJBUZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6O/c20-14-4-5-17-16(7-14)18(25-24-17)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]-5-fluoro-1H-indazole-3-carboxamide?
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-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]-5-fluoro-1H-indazole-3-carboxamide is sourced from PubChem (CID 71259814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).