7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine

C20H20FN7 — CID 137305511

IUPAC7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine
SMILESCc1cc(C)n(-c2cc(N)[nH]c3c(ccn2)c(-c2ccc(F)cc2)nn3C)n1
InChIInChI=1S/C20H20FN7/c1-12-10-13(2)28(25-12)18-11-17(22)24-20-16(8-9-23-18)19(26-27(20)3)14-4-6-15(21)7-5-14/h4-11,24H,22H2,1-3H3/b9-8-,17-11-,23-18+
InChIKeyGHNUSLVIARUYLB-NKVSFPMNSA-N
MW377.43 g/mol
LogP3.61
Rot. Bonds2

About 7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine

7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine (PubChem CID 137305511) has the molecular formula C20H20FN7 and a molecular weight of 377.43 g/mol. Its IUPAC name is 7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine.

Molecular Properties

Compound Name7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine
PubChem CID137305511
Molecular FormulaC20H20FN7
Molecular Weight377.43 g/mol
Exact Mass377.18
IUPAC Name7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine
SMILESCc1cc(C)n(-c2cc(N)[nH]c3c(ccn2)c(-c2ccc(F)cc2)nn3C)n1
InChIInChI=1S/C20H20FN7/c1-12-10-13(2)28(25-12)18-11-17(22)24-20-16(8-9-23-18)19(26-27(20)3)14-4-6-15(21)7-5-14/h4-11,24H,22H2,1-3H3/b9-8-,17-11-,23-18+
InChIKeyGHNUSLVIARUYLB-NKVSFPMNSA-N
XLogP3.61
TPSA90.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine?
The IUPAC name of 7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine (CID 137305511) is 7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine.
What is the SMILES notation for 7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine?
The canonical SMILES for 7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine is Cc1cc(C)n(-c2cc(N)[nH]c3c(ccn2)c(-c2ccc(F)cc2)nn3C)n1.
What is the InChIKey of 7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine?
The InChIKey is GHNUSLVIARUYLB-NKVSFPMNSA-N. The full InChI is InChI=1S/C20H20FN7/c1-12-10-13(2)28(25-12)18-11-17(22)24-20-16(8-9-23-18)19(26-27(20)3)14-4-6-15(21)7-5-14/h4-11,24H,22H2,1-3H3/b9-8-,17-11-,23-18+.
What are the key properties of 7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine?
7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine has a molecular weight of 377.43 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine is sourced from PubChem (CID 137305511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).