[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate

C18H23N3O3 — CID 42601208

IUPAC[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
SMILESCC(OC(=O)c1n[nH]c2ccccc12)C(=O)NC1CCCCC1C
InChIInChI=1S/C18H23N3O3/c1-11-7-3-5-9-14(11)19-17(22)12(2)24-18(23)16-13-8-4-6-10-15(13)20-21-16/h4,6,8,10-12,14H,3,5,7,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYYWGFQZMPZSOOF-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.80
Rot. Bonds4

About [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate

[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate (PubChem CID 42601208) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
PubChem CID42601208
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
SMILESCC(OC(=O)c1n[nH]c2ccccc12)C(=O)NC1CCCCC1C
InChIInChI=1S/C18H23N3O3/c1-11-7-3-5-9-14(11)19-17(22)12(2)24-18(23)16-13-8-4-6-10-15(13)20-21-16/h4,6,8,10-12,14H,3,5,7,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYYWGFQZMPZSOOF-UHFFFAOYSA-N
XLogP2.80
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2096530
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CID 2117945
CID 2117945
CID 2425270
CID 2425270
CID 91800747
CID 91800747
CID 78251
CID 78251
CID 2116799
CID 2116799
CID 2117922
CID 2117922
CID 2161552
CID 2161552
CID 2457604
CID 2457604

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The IUPAC name of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate (CID 42601208) is [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The canonical SMILES for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate is CC(OC(=O)c1n[nH]c2ccccc12)C(=O)NC1CCCCC1C.
What is the InChIKey of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The InChIKey is YYWGFQZMPZSOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-7-3-5-9-14(11)19-17(22)12(2)24-18(23)16-13-8-4-6-10-15(13)20-21-16/h4,6,8,10-12,14H,3,5,7,9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 42601208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).