[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

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

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Related Compounds

methyl 1H-indazole-3-carboxylate
CID 657476
(1S,7aR)-hexahydro-1H-pyrrolizin-1-ylmethyl 1H-indazole-3-carboxylate
CID 11508052
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2085783
[2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2096530
[2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate
CID 2117945
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2425270
1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 91800747
ethyl 1H-indazole-3-carboxylate
CID 78251
[2-(4-ethylphenyl)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2116799
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2117922
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2161552
[2-(2,5-difluorophenyl)-2-oxoethyl] 1H-indazole-3-carboxylate
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).