N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide

C19H19N5O4S — CID 26876723

IUPACN'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1n[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H19N5O4S/c25-18(22-23-19(26)17-15-5-1-2-6-16(15)20-21-17)13-7-9-14(10-8-13)29(27,28)24-11-3-4-12-24/h1-2,5-10H,3-4,11-12H2,(H,20,21)(H,22,25)(H,23,26)
InChIKeyGACPYCPFLMFVAZ-UHFFFAOYSA-N
MW413.46 g/mol
LogP1.42
Rot. Bonds4

About N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide

N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide (PubChem CID 26876723) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide
PubChem CID26876723
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC NameN'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1n[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H19N5O4S/c25-18(22-23-19(26)17-15-5-1-2-6-16(15)20-21-17)13-7-9-14(10-8-13)29(27,28)24-11-3-4-12-24/h1-2,5-10H,3-4,11-12H2,(H,20,21)(H,22,25)(H,23,26)
InChIKeyGACPYCPFLMFVAZ-UHFFFAOYSA-N
XLogP1.42
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.42
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

N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide
CID 17417619
N'-(cyclopropanecarbonyl)-1H-indazole-3-carbohydrazide
CID 26799017
N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide
CID 70167625
5-phenyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-pyrazole-4-carbohydrazide
CID 24650294
4-ethoxy-N-[4-[(1H-indazole-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 26774621
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 29169317
3-chloro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1-benzothiophene-2-carbohydrazide
CID 4879741
N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide;formic acid
CID 86758801
4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide
CID 1428605
[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 26677296
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 26558621
(2S)-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9086388

Frequently Asked Questions

What is the IUPAC name of N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide?
The IUPAC name of N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide (CID 26876723) is N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide.
What is the SMILES notation for N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide?
The canonical SMILES for N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide is O=C(NNC(=O)c1n[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide?
The InChIKey is GACPYCPFLMFVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c25-18(22-23-19(26)17-15-5-1-2-6-16(15)20-21-17)13-7-9-14(10-8-13)29(27,28)24-11-3-4-12-24/h1-2,5-10H,3-4,11-12H2,(H,20,21)(H,22,25)(H,23,26).
What are the key properties of N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide?
N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide has a molecular weight of 413.46 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide is sourced from PubChem (CID 26876723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).