methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate

C16H25N3O3 — CID 71972240

IUPACmethyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate
SMILESCCn1nc(C)cc1C(=O)NC1CCCCCC1C(=O)OC
InChIInChI=1S/C16H25N3O3/c1-4-19-14(10-11(2)18-19)15(20)17-13-9-7-5-6-8-12(13)16(21)22-3/h10,12-13H,4-9H2,1-3H3,(H,17,20)
InChIKeyUCWJABLHLLZMIZ-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.06
Rot. Bonds4

About methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate

methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate (PubChem CID 71972240) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate
PubChem CID71972240
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Namemethyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate
SMILESCCn1nc(C)cc1C(=O)NC1CCCCCC1C(=O)OC
InChIInChI=1S/C16H25N3O3/c1-4-19-14(10-11(2)18-19)15(20)17-13-9-7-5-6-8-12(13)16(21)22-3/h10,12-13H,4-9H2,1-3H3,(H,17,20)
InChIKeyUCWJABLHLLZMIZ-UHFFFAOYSA-N
XLogP2.06
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119695
2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66120397
cis-methyl (1S,2R)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylate
CID 99599427
N-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 115881850
1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
CID 106364536
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119890
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 79711180
N-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66120497
N-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66119641
2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide
CID 91769972
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114307110

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate?
The IUPAC name of methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate (CID 71972240) is methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate.
What is the SMILES notation for methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate?
The canonical SMILES for methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate is CCn1nc(C)cc1C(=O)NC1CCCCCC1C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate?
The InChIKey is UCWJABLHLLZMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-19-14(10-11(2)18-19)15(20)17-13-9-7-5-6-8-12(13)16(21)22-3/h10,12-13H,4-9H2,1-3H3,(H,17,20).
What are the key properties of methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate?
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate is sourced from PubChem (CID 71972240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).