methyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate

C14H21N3O3 — CID 5300144

IUPACmethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(CC(=O)NC2CCCCCC2)n1
InChIInChI=1S/C14H21N3O3/c1-20-14(19)12-8-9-17(16-12)10-13(18)15-11-6-4-2-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,15,18)
InChIKeyROEAJGRTMQGZRW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.51
Rot. Bonds4

About methyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate

methyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate (PubChem CID 5300144) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate
PubChem CID5300144
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(CC(=O)NC2CCCCCC2)n1
InChIInChI=1S/C14H21N3O3/c1-20-14(19)12-8-9-17(16-12)10-13(18)15-11-6-4-2-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,15,18)
InChIKeyROEAJGRTMQGZRW-UHFFFAOYSA-N
XLogP1.51
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623357
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide
CID 54901941
N-cyclopropyl-2-(3-propan-2-ylpyrazol-1-yl)acetamide
CID 71846689
N-cyclopentyl-3-(3-methylpyrazol-1-yl)propanamide
CID 19555712
1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid
CID 167831674
N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961
methyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate
CID 46988642
2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-cycloheptylacetamide
CID 51091035
N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide
CID 19521509
1-[2-(cyclohexylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 55134032
[2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3977392
methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609506

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate (CID 5300144) is methyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate is COC(=O)c1ccn(CC(=O)NC2CCCCCC2)n1.
What is the InChIKey of methyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate?
The InChIKey is ROEAJGRTMQGZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-20-14(19)12-8-9-17(16-12)10-13(18)15-11-6-4-2-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,15,18).
What are the key properties of methyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate?
methyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate is sourced from PubChem (CID 5300144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).