N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C15H17N3O2 — CID 110388915

IUPACN-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1
InChIInChI=1S/C15H17N3O2/c1-2-20-11-8-6-10(7-9-11)16-15(19)14-12-4-3-5-13(12)17-18-14/h6-9H,2-5H2,1H3,(H,16,19)(H,17,18)
InChIKeyMEEOQBHGTAVLDL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.55
Rot. Bonds4

About N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 110388915) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID110388915
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1
InChIInChI=1S/C15H17N3O2/c1-2-20-11-8-6-10(7-9-11)16-15(19)14-12-4-3-5-13(12)17-18-14/h6-9H,2-5H2,1H3,(H,16,19)(H,17,18)
InChIKeyMEEOQBHGTAVLDL-UHFFFAOYSA-N
XLogP2.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 5405927
N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254536
N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 75502190
N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691761
N-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110628950
N-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110428948
4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide
CID 158879158
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110426145
4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 22331411
N-[(4-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 3677642
N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585402

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 110388915) is N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CCOc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is MEEOQBHGTAVLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-20-11-8-6-10(7-9-11)16-15(19)14-12-4-3-5-13(12)17-18-14/h6-9H,2-5H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 110388915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).