2,6-dimethyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

C21H25F4N3O — CID 19433071

IUPAC2,6-dimethyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
SMILESCCCCCc1c(F)c(F)c(CNC(=O)c2c3c(nn2C)C(C)CC3)c(F)c1F
InChIInChI=1S/C21H25F4N3O/c1-4-5-6-7-12-15(22)17(24)14(18(25)16(12)23)10-26-21(29)20-13-9-8-11(2)19(13)27-28(20)3/h11H,4-10H2,1-3H3,(H,26,29)
InChIKeyMSZZRKIGRNITNJ-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.69
Rot. Bonds7

About 2,6-dimethyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

2,6-dimethyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide (PubChem CID 19433071) has the molecular formula C21H25F4N3O and a molecular weight of 411.44 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
PubChem CID19433071
Molecular FormulaC21H25F4N3O
Molecular Weight411.44 g/mol
Exact Mass411.19
IUPAC Name2,6-dimethyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
SMILESCCCCCc1c(F)c(F)c(CNC(=O)c2c3c(nn2C)C(C)CC3)c(F)c1F
InChIInChI=1S/C21H25F4N3O/c1-4-5-6-7-12-15(22)17(24)14(18(25)16(12)23)10-26-21(29)20-13-9-8-11(2)19(13)27-28(20)3/h11H,4-10H2,1-3H3,(H,26,29)
InChIKeyMSZZRKIGRNITNJ-UHFFFAOYSA-N
XLogP4.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,6-dimethyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-butylsulfanyl-2,3,5,6-tetrafluorophenyl)methyl]-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 19433076
4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 19433080
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-[(2,3,5,6-tetrafluoro-4-propylphenyl)methyl]acetamide
CID 139660156
(5R,7S)-N-[(4-cyclopropyl-2-fluorophenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093400
(5R,7S)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093329
4-chloro-N-hexyl-1,3-dimethylpyrazole-5-carboxamide
CID 19476881
N-[(4-butoxy-2,3,5,6-tetrafluorophenyl)methyl]-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)acetamide
CID 139660133
2,3,4,5-tetrafluoro-6-heptylbenzoic acid
CID 22465875
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 118788969
(5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093381
N-butyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480862
4-amino-3-ethyl-1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-5-carboxamide
CID 66123380

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide (CID 19433071) is 2,6-dimethyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide is CCCCCc1c(F)c(F)c(CNC(=O)c2c3c(nn2C)C(C)CC3)c(F)c1F.
What is the InChIKey of 2,6-dimethyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide?
The InChIKey is MSZZRKIGRNITNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F4N3O/c1-4-5-6-7-12-15(22)17(24)14(18(25)16(12)23)10-26-21(29)20-13-9-8-11(2)19(13)27-28(20)3/h11H,4-10H2,1-3H3,(H,26,29).
What are the key properties of 2,6-dimethyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide?
2,6-dimethyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide is sourced from PubChem (CID 19433071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).