3-amino-N',N'-dimethyl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbohydrazide

C13H13N5O2 — CID 54361052

IUPAC3-amino-N',N'-dimethyl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbohydrazide
SMILESCN(C)NC(=O)c1cccc2c1C(=O)c1c(N)n[nH]c1-2
InChIInChI=1S/C13H13N5O2/c1-18(2)17-13(20)7-5-3-4-6-8(7)11(19)9-10(6)15-16-12(9)14/h3-5H,1-2H3,(H,17,20)(H3,14,15,16)
InChIKeyUMNCYVDQECPAFM-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.41
Rot. Bonds2

About 3-amino-N',N'-dimethyl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbohydrazide

3-amino-N',N'-dimethyl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbohydrazide (PubChem CID 54361052) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-amino-N',N'-dimethyl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-amino-N',N'-dimethyl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbohydrazide
PubChem CID54361052
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name3-amino-N',N'-dimethyl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbohydrazide
SMILESCN(C)NC(=O)c1cccc2c1C(=O)c1c(N)n[nH]c1-2
InChIInChI=1S/C13H13N5O2/c1-18(2)17-13(20)7-5-3-4-6-8(7)11(19)9-10(6)15-16-12(9)14/h3-5H,1-2H3,(H,17,20)(H3,14,15,16)
InChIKeyUMNCYVDQECPAFM-UHFFFAOYSA-N
XLogP0.41
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide
CID 154449735
3-amino-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide
CID 54260593
2-amino-N',N'-dimethylpyridine-3-carbohydrazide
CID 83024659
3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide
CID 83023624
4-oxo-3-pyridin-4-yl-1H-indeno[2,1-d]pyrazole-5-carboxamide
CID 141064167
2-amino-3-fluoro-N',N'-dimethylbenzohydrazide
CID 83021184
1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea
CID 5330030
3-hydroxy-N',N',2-trimethylbenzohydrazide
CID 83017028
1-(dimethylamino)-3-(4-oxo-3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea
CID 5330024
3-amino-N',N'-dimethyl-2-nitrobenzohydrazide
CID 83023174
2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 139912377
1-(dimethylamino)-3-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea
CID 18188258

Frequently Asked Questions

What is the IUPAC name of 3-amino-N',N'-dimethyl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbohydrazide?
The IUPAC name of 3-amino-N',N'-dimethyl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbohydrazide (CID 54361052) is 3-amino-N',N'-dimethyl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-amino-N',N'-dimethyl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbohydrazide?
The canonical SMILES for 3-amino-N',N'-dimethyl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbohydrazide is CN(C)NC(=O)c1cccc2c1C(=O)c1c(N)n[nH]c1-2.
What is the InChIKey of 3-amino-N',N'-dimethyl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbohydrazide?
The InChIKey is UMNCYVDQECPAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-18(2)17-13(20)7-5-3-4-6-8(7)11(19)9-10(6)15-16-12(9)14/h3-5H,1-2H3,(H,17,20)(H3,14,15,16).
What are the key properties of 3-amino-N',N'-dimethyl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbohydrazide?
3-amino-N',N'-dimethyl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbohydrazide has a molecular weight of 271.28 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N',N'-dimethyl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbohydrazide is sourced from PubChem (CID 54361052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).