methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate

C12H17N3O3 — CID 47355117

IUPACmethyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(C)[nH]n2)CCCC1
InChIInChI=1S/C12H17N3O3/c1-8-7-9(15-14-8)10(16)13-12(11(17)18-2)5-3-4-6-12/h7H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyIWGCACGMFRNSNM-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.93
Rot. Bonds3

About methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate

methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate (PubChem CID 47355117) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate
PubChem CID47355117
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(C)[nH]n2)CCCC1
InChIInChI=1S/C12H17N3O3/c1-8-7-9(15-14-8)10(16)13-12(11(17)18-2)5-3-4-6-12/h7H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyIWGCACGMFRNSNM-UHFFFAOYSA-N
XLogP0.93
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-methyl-1-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 55981570
N-methoxy-5-methyl-1H-pyrazole-3-carboxamide
CID 126988470
methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 71995092
N-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484321
ethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 55968963
N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
CID 126857183
methyl 1-(pyridine-2-carbonylamino)cyclohexane-1-carboxylate;1-(pyridine-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 162200373
methyl 1-[(5-amino-2-methylbenzoyl)amino]cyclohexane-1-carboxylate
CID 120619655
N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
CID 47109350
methyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 51114145
2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 81367172
methyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119701259

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate (CID 47355117) is methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)c2cc(C)[nH]n2)CCCC1.
What is the InChIKey of methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate?
The InChIKey is IWGCACGMFRNSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-7-9(15-14-8)10(16)13-12(11(17)18-2)5-3-4-6-12/h7H,3-6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate?
methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 47355117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).