N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide

C10H13ClN4O2 — CID 166414899

IUPACN'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
SMILESO=C(CCl)NNC(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C10H13ClN4O2/c11-5-8(16)13-15-10(17)9-6-3-1-2-4-7(6)12-14-9/h1-5H2,(H,12,14)(H,13,16)(H,15,17)
InChIKeyIUTBBTKSEQSJFR-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.29
Rot. Bonds2

About N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide

N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide (PubChem CID 166414899) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
PubChem CID166414899
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC NameN'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
SMILESO=C(CCl)NNC(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C10H13ClN4O2/c11-5-8(16)13-15-10(17)9-6-3-1-2-4-7(6)12-14-9/h1-5H2,(H,12,14)(H,13,16)(H,15,17)
InChIKeyIUTBBTKSEQSJFR-UHFFFAOYSA-N
XLogP0.29
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333
N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 170232622
N-(2-propan-2-yloxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110610403
N-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110898774
N-[2-(cyclopropanecarbonylamino)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 78880342
N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 94913783
N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 53017368
N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388801
N-(2-ethyl-2-hydroxybutyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111483509
N-[(2S)-butan-2-yl]-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 97046545
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187
N-(2-morpholin-4-ylethyl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 75489591

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide?
The IUPAC name of N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide (CID 166414899) is N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide?
The canonical SMILES for N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide is O=C(CCl)NNC(=O)c1n[nH]c2c1CCCC2.
What is the InChIKey of N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide?
The InChIKey is IUTBBTKSEQSJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c11-5-8(16)13-15-10(17)9-6-3-1-2-4-7(6)12-14-9/h1-5H2,(H,12,14)(H,13,16)(H,15,17).
What are the key properties of N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide?
N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide has a molecular weight of 256.69 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide is sourced from PubChem (CID 166414899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).