4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide

C21H26ClN5O2 — CID 155449171

IUPAC4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1nn(C(C)C)cc1Cl
InChIInChI=1S/C21H26ClN5O2/c1-13(2)26-12-16(22)20(25-26)21(28)23-18-9-14-11-27(15-7-5-4-6-8-15)24-17(14)10-19(18)29-3/h9-13,15H,4-8H2,1-3H3,(H,23,28)
InChIKeyZJNPRPXOWHMVSA-UHFFFAOYSA-N
MW415.93 g/mol
LogP5.23
Rot. Bonds5

About 4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide

4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 155449171) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is 4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID155449171
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC Name4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1nn(C(C)C)cc1Cl
InChIInChI=1S/C21H26ClN5O2/c1-13(2)26-12-16(22)20(25-26)21(28)23-18-9-14-11-27(15-7-5-4-6-8-15)24-17(14)10-19(18)29-3/h9-13,15H,4-8H2,1-3H3,(H,23,28)
InChIKeyZJNPRPXOWHMVSA-UHFFFAOYSA-N
XLogP5.23
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.93
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane
CID 155752222
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane
CID 155751873
4-chloro-N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]benzamide
CID 155449238
3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 155448904
4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167375489
(2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide
CID 155449467
2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167156352
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]pyrimidine-4-carboxamide
CID 155448826
N-[2-(4-ethylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155448816
6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 167375733
N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide
CID 167156200
N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 155448924

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide (CID 155449171) is 4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide is COc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1nn(C(C)C)cc1Cl.
What is the InChIKey of 4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is ZJNPRPXOWHMVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O2/c1-13(2)26-12-16(22)20(25-26)21(28)23-18-9-14-11-27(15-7-5-4-6-8-15)24-17(14)10-19(18)29-3/h9-13,15H,4-8H2,1-3H3,(H,23,28).
What are the key properties of 4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide?
4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 415.93 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 155449171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).