methyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate

C16H25N3O3 — CID 170982661

IUPACmethyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate
SMILESCCn1nccc1C(=O)N[C@H](C(=O)OC)C1CCCCCC1
InChIInChI=1S/C16H25N3O3/c1-3-19-13(10-11-17-19)15(20)18-14(16(21)22-2)12-8-6-4-5-7-9-12/h10-12,14H,3-9H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyMAJMSNLXYMSNBH-AWEZNQCLSA-N
MW307.39 g/mol
LogP2.14
Rot. Bonds5

About methyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate

methyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate (PubChem CID 170982661) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate
PubChem CID170982661
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Namemethyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate
SMILESCCn1nccc1C(=O)N[C@H](C(=O)OC)C1CCCCCC1
InChIInChI=1S/C16H25N3O3/c1-3-19-13(10-11-17-19)15(20)18-14(16(21)22-2)12-8-6-4-5-7-9-12/h10-12,14H,3-9H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyMAJMSNLXYMSNBH-AWEZNQCLSA-N
XLogP2.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-amino-1-(3-bicyclo[3.1.1]heptanyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 176980859
N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide
CID 155036093
N-[1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362258
N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362456
N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362487
N-[(1S)-1-cyclopentyl-2-[4-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 164514278
2-ethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390415
2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390417
ethyl (2S)-2-(4-methylcyclohexyl)-2-[[2-(2-methylsulfonylethyl)pyrazole-3-carbonyl]amino]acetate
CID 166888498
N-[(1S)-1-cyclopentyl-2-[4-[2-methyl-4-(trifluoromethyl)-3-pyridinyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 170425392
methyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
CID 146524756
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-ethylpyrazole-3-carboxamide
CID 98472822

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate?
The IUPAC name of methyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate (CID 170982661) is methyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate?
The canonical SMILES for methyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate is CCn1nccc1C(=O)N[C@H](C(=O)OC)C1CCCCCC1.
What is the InChIKey of methyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate?
The InChIKey is MAJMSNLXYMSNBH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-3-19-13(10-11-17-19)15(20)18-14(16(21)22-2)12-8-6-4-5-7-9-12/h10-12,14H,3-9H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of methyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate?
methyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate has a molecular weight of 307.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate is sourced from PubChem (CID 170982661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).