methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate

C15H15N3O3 — CID 110388929

IUPACmethyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2n[nH]c3c2CCC3)c1
InChIInChI=1S/C15H15N3O3/c1-21-15(20)9-4-2-5-10(8-9)16-14(19)13-11-6-3-7-12(11)17-18-13/h2,4-5,8H,3,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyZFOURNALTTZHAH-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.94
Rot. Bonds3

About methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate

methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate (PubChem CID 110388929) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate
PubChem CID110388929
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2n[nH]c3c2CCC3)c1
InChIInChI=1S/C15H15N3O3/c1-21-15(20)9-4-2-5-10(8-9)16-14(19)13-11-6-3-7-12(11)17-18-13/h2,4-5,8H,3,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyZFOURNALTTZHAH-UHFFFAOYSA-N
XLogP1.94
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxyphenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 110089442
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46323290
N-(2H-benzotriazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71918378
N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84578006
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110621336
N-quinoxalin-6-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 126787422
N-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110428948
N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388915
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110426145
N-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71700995
methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 43404072

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate?
The IUPAC name of methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate (CID 110388929) is methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate.
What is the SMILES notation for methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate?
The canonical SMILES for methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate is COC(=O)c1cccc(NC(=O)c2n[nH]c3c2CCC3)c1.
What is the InChIKey of methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate?
The InChIKey is ZFOURNALTTZHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-21-15(20)9-4-2-5-10(8-9)16-14(19)13-11-6-3-7-12(11)17-18-13/h2,4-5,8H,3,6-7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate?
methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate has a molecular weight of 285.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate is sourced from PubChem (CID 110388929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).