N-ethyl-4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperazine-1-carboxamide

C20H26FN5O — CID 75463119

IUPACN-ethyl-4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1
InChIInChI=1S/C20H26FN5O/c1-2-22-20(27)25-12-10-24(11-13-25)14-18-17-4-3-5-19(17)26(23-18)16-8-6-15(21)7-9-16/h6-9H,2-5,10-14H2,1H3,(H,22,27)
InChIKeyZSBKDNVQCWXXQE-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.35
Rot. Bonds4

About N-ethyl-4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperazine-1-carboxamide

N-ethyl-4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperazine-1-carboxamide (PubChem CID 75463119) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is N-ethyl-4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperazine-1-carboxamide
PubChem CID75463119
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC NameN-ethyl-4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1
InChIInChI=1S/C20H26FN5O/c1-2-22-20(27)25-12-10-24(11-13-25)14-18-17-4-3-5-19(17)26(23-18)16-8-6-15(21)7-9-16/h6-9H,2-5,10-14H2,1H3,(H,22,27)
InChIKeyZSBKDNVQCWXXQE-UHFFFAOYSA-N
XLogP2.35
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperazine-1-carboxamide (CID 75463119) is N-ethyl-4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperazine-1-carboxamide is CCNC(=O)N1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1.
What is the InChIKey of N-ethyl-4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperazine-1-carboxamide?
The InChIKey is ZSBKDNVQCWXXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-2-22-20(27)25-12-10-24(11-13-25)14-18-17-4-3-5-19(17)26(23-18)16-8-6-15(21)7-9-16/h6-9H,2-5,10-14H2,1H3,(H,22,27).
What are the key properties of N-ethyl-4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperazine-1-carboxamide?
N-ethyl-4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperazine-1-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 75463119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).