N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

C25H28FN3O3 — CID 3861884

IUPACN-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(CCn2cc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cn2)cc1OC
InChIInChI=1S/C25H28FN3O3/c1-31-22-10-5-18(15-23(22)32-2)11-14-29-17-21(16-27-29)28-24(30)25(12-3-4-13-25)19-6-8-20(26)9-7-19/h5-10,15-17H,3-4,11-14H2,1-2H3,(H,28,30)
InChIKeyATQISJCKKCFVIP-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.73
Rot. Bonds8

About N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 3861884) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID3861884
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC NameN-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(CCn2cc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cn2)cc1OC
InChIInChI=1S/C25H28FN3O3/c1-31-22-10-5-18(15-23(22)32-2)11-14-29-17-21(16-27-29)28-24(30)25(12-3-4-13-25)19-6-8-20(26)9-7-19/h5-10,15-17H,3-4,11-14H2,1-2H3,(H,28,30)
InChIKeyATQISJCKKCFVIP-UHFFFAOYSA-N
XLogP4.73
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-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-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 51090234
1-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 5002886
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide
CID 5151080
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752
3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 113090680
1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438018
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 56821455
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491
1-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 1234744
N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664950
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 19576925

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (CID 3861884) is N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is COc1ccc(CCn2cc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cn2)cc1OC.
What is the InChIKey of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is ATQISJCKKCFVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-31-22-10-5-18(15-23(22)32-2)11-14-29-17-21(16-27-29)28-24(30)25(12-3-4-13-25)19-6-8-20(26)9-7-19/h5-10,15-17H,3-4,11-14H2,1-2H3,(H,28,30).
What are the key properties of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 3861884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).