N-[[3-amino-4-[(3-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]methyl]pyrazine-2-carboxamide

C15H13FN8O — CID 174486144

IUPACN-[[3-amino-4-[(3-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]methyl]pyrazine-2-carboxamide
SMILESNc1n[nH]c(CNC(=O)c2cnccn2)c1/N=N/c1cccc(F)c1
InChIInChI=1S/C15H13FN8O/c16-9-2-1-3-10(6-9)21-23-13-11(22-24-14(13)17)8-20-15(25)12-7-18-4-5-19-12/h1-7H,8H2,(H,20,25)(H3,17,22,24)/b23-21+
InChIKeyMKGRDAKECSQONC-XTQSDGFTSA-N
MW340.32 g/mol
LogP2.27
Rot. Bonds5

About N-[[3-amino-4-[(3-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]methyl]pyrazine-2-carboxamide

N-[[3-amino-4-[(3-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]methyl]pyrazine-2-carboxamide (PubChem CID 174486144) has the molecular formula C15H13FN8O and a molecular weight of 340.32 g/mol. Its IUPAC name is N-[[3-amino-4-[(3-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-amino-4-[(3-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]methyl]pyrazine-2-carboxamide
PubChem CID174486144
Molecular FormulaC15H13FN8O
Molecular Weight340.32 g/mol
Exact Mass340.12
IUPAC NameN-[[3-amino-4-[(3-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]methyl]pyrazine-2-carboxamide
SMILESNc1n[nH]c(CNC(=O)c2cnccn2)c1/N=N/c1cccc(F)c1
InChIInChI=1S/C15H13FN8O/c16-9-2-1-3-10(6-9)21-23-13-11(22-24-14(13)17)8-20-15(25)12-7-18-4-5-19-12/h1-7H,8H2,(H,20,25)(H3,17,22,24)/b23-21+
InChIKeyMKGRDAKECSQONC-XTQSDGFTSA-N
XLogP2.27
TPSA134.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 110482106
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 36539472
N-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide
CID 58138022
N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 110795606
N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide
CID 60981874
N-(4-fluoro-1H-indazol-3-yl)pyrazine-2-carboxamide
CID 51102709
N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788502
(2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone
CID 82685218
N-(1H-pyrazol-4-ylmethyl)pyrazine-2-carboxamide
CID 60736174
N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
CID 110471356
N-(2-amino-2-oxoethyl)pyrazine-2-carboxamide
CID 14101204
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide
CID 95583445

Frequently Asked Questions

What is the IUPAC name of N-[[3-amino-4-[(3-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[3-amino-4-[(3-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]methyl]pyrazine-2-carboxamide (CID 174486144) is N-[[3-amino-4-[(3-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[3-amino-4-[(3-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[3-amino-4-[(3-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]methyl]pyrazine-2-carboxamide is Nc1n[nH]c(CNC(=O)c2cnccn2)c1/N=N/c1cccc(F)c1.
What is the InChIKey of N-[[3-amino-4-[(3-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is MKGRDAKECSQONC-XTQSDGFTSA-N. The full InChI is InChI=1S/C15H13FN8O/c16-9-2-1-3-10(6-9)21-23-13-11(22-24-14(13)17)8-20-15(25)12-7-18-4-5-19-12/h1-7H,8H2,(H,20,25)(H3,17,22,24)/b23-21+.
What are the key properties of N-[[3-amino-4-[(3-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]methyl]pyrazine-2-carboxamide?
N-[[3-amino-4-[(3-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 340.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-amino-4-[(3-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 174486144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).