N'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide

C17H14ClN5O2S — CID 11474701

IUPACN'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide
SMILESCc1nn(C)c2sc(C(=O)NNC(=O)c3cc4cc(Cl)ccc4[nH]3)cc12
InChIInChI=1S/C17H14ClN5O2S/c1-8-11-7-14(26-17(11)23(2)22-8)16(25)21-20-15(24)13-6-9-5-10(18)3-4-12(9)19-13/h3-7,19H,1-2H3,(H,20,24)(H,21,25)
InChIKeySDOIWXXOUXZMOM-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.15
Rot. Bonds2

About N'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide

N'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide (PubChem CID 11474701) has the molecular formula C17H14ClN5O2S and a molecular weight of 387.85 g/mol. Its IUPAC name is N'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide
PubChem CID11474701
Molecular FormulaC17H14ClN5O2S
Molecular Weight387.85 g/mol
Exact Mass387.06
IUPAC NameN'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide
SMILESCc1nn(C)c2sc(C(=O)NNC(=O)c3cc4cc(Cl)ccc4[nH]3)cc12
InChIInChI=1S/C17H14ClN5O2S/c1-8-11-7-14(26-17(11)23(2)22-8)16(25)21-20-15(24)13-6-9-5-10(18)3-4-12(9)19-13/h3-7,19H,1-2H3,(H,20,24)(H,21,25)
InChIKeySDOIWXXOUXZMOM-UHFFFAOYSA-N
XLogP3.15
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.15
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-[(2,4-dichlorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26018814
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26069836
N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55559724
N-[(1R)-1-(3-chlorophenyl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 25488173
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 16599345
1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 78927998
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
N-(3,5-dimethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304581
5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992565
N-(2-ethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304599

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide?
The IUPAC name of N'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide (CID 11474701) is N'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide is Cc1nn(C)c2sc(C(=O)NNC(=O)c3cc4cc(Cl)ccc4[nH]3)cc12.
What is the InChIKey of N'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide?
The InChIKey is SDOIWXXOUXZMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2S/c1-8-11-7-14(26-17(11)23(2)22-8)16(25)21-20-15(24)13-6-9-5-10(18)3-4-12(9)19-13/h3-7,19H,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide?
N'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide has a molecular weight of 387.85 g/mol, XLogP of 3.15, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide is sourced from PubChem (CID 11474701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).