N-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C19H21FN4O2 — CID 51314027

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCCNC(=O)C1CC1)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C19H21FN4O2/c20-13-6-8-14(9-7-13)24-16-3-1-2-15(16)17(23-24)19(26)22-11-10-21-18(25)12-4-5-12/h6-9,12H,1-5,10-11H2,(H,21,25)(H,22,26)
InChIKeyMXWXOYPRKXDQJU-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.76
Rot. Bonds6

About N-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 51314027) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID51314027
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCCNC(=O)C1CC1)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C19H21FN4O2/c20-13-6-8-14(9-7-13)24-16-3-1-2-15(16)17(23-24)19(26)22-11-10-21-18(25)12-4-5-12/h6-9,12H,1-5,10-11H2,(H,21,25)(H,22,26)
InChIKeyMXWXOYPRKXDQJU-UHFFFAOYSA-N
XLogP1.76
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18136479
1-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24605170
1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376
1-(4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24633446
N-[3-(2-fluorophenoxy)propyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18288305
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42492084
1-(4-fluorophenyl)-N-pentan-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17499040
1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42941518
1-(4-fluorophenyl)-N-[2-(furan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24605231
1-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 30544749
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 91641532
1-(4-fluorophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18279681

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 51314027) is N-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C(NCCNC(=O)C1CC1)c1nn(-c2ccc(F)cc2)c2c1CCC2.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is MXWXOYPRKXDQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-13-6-8-14(9-7-13)24-16-3-1-2-15(16)17(23-24)19(26)22-11-10-21-18(25)12-4-5-12/h6-9,12H,1-5,10-11H2,(H,21,25)(H,22,26).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 51314027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).