3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide

C12H10N6O3 — CID 64524610

IUPAC3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)[nH]n1
InChIInChI=1S/C12H10N6O3/c13-8-4-7(15-16-8)11(20)14-6-3-1-2-5-9(6)12(21)18-17-10(5)19/h1-4H,(H,14,20)(H,17,19)(H,18,21)(H3,13,15,16)
InChIKeyVQJFIHNMQCAAQD-UHFFFAOYSA-N
MW286.25 g/mol
LogP-0.23
Rot. Bonds2

About 3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide

3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide (PubChem CID 64524610) has the molecular formula C12H10N6O3 and a molecular weight of 286.25 g/mol. Its IUPAC name is 3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide
PubChem CID64524610
Molecular FormulaC12H10N6O3
Molecular Weight286.25 g/mol
Exact Mass286.08
IUPAC Name3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)[nH]n1
InChIInChI=1S/C12H10N6O3/c13-8-4-7(15-16-8)11(20)14-6-3-1-2-5-9(6)12(21)18-17-10(5)19/h1-4H,(H,14,20)(H,17,19)(H,18,21)(H3,13,15,16)
InChIKeyVQJFIHNMQCAAQD-UHFFFAOYSA-N
XLogP-0.23
TPSA149.52 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 64524808
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide
CID 3993639
2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide
CID 106685230
3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide
CID 64525415
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide
CID 110734426
(1,4-dioxo-2,3-dihydrophthalazin-5-yl)carbamodithioic acid
CID 102281368
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea
CID 27190754
4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 24709508
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide
CID 110734458
5-(bromoamino)-2,3-dihydrophthalazine-1,4-dione
CID 11586922
3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64525453
3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64524613

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide (CID 64524610) is 3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)[nH]n1.
What is the InChIKey of 3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is VQJFIHNMQCAAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O3/c13-8-4-7(15-16-8)11(20)14-6-3-1-2-5-9(6)12(21)18-17-10(5)19/h1-4H,(H,14,20)(H,17,19)(H,18,21)(H3,13,15,16).
What are the key properties of 3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide?
3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 286.25 g/mol, XLogP of -0.23, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).