N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C21H27FN4O — CID 70712085

IUPACN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C21H27FN4O/c1-24(20(27)21(10-2-3-11-21)25-12-4-5-13-25)15-17-14-23-26(16-17)19-8-6-18(22)7-9-19/h6-9,14,16H,2-5,10-13,15H2,1H3
InChIKeyKUORCMBZZJISJU-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.38
Rot. Bonds5

About N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 70712085) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID70712085
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C21H27FN4O/c1-24(20(27)21(10-2-3-11-21)25-12-4-5-13-25)15-17-14-23-26(16-17)19-8-6-18(22)7-9-19/h6-9,14,16H,2-5,10-13,15H2,1H3
InChIKeyKUORCMBZZJISJU-UHFFFAOYSA-N
XLogP3.38
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
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CID 96577576
1-(4-fluorophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24611876
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 70761761
3-chloro-2-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]benzoic acid
CID 166333855
2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961646
1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 55521841
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45224221
3-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45179406
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-[(4-methyl-1,4-oxazepan-6-yl)methyl]urea;formic acid
CID 154908511
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507
1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 70712085) is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is KUORCMBZZJISJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-24(20(27)21(10-2-3-11-21)25-12-4-5-13-25)15-17-14-23-26(16-17)19-8-6-18(22)7-9-19/h6-9,14,16H,2-5,10-13,15H2,1H3.
What are the key properties of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 70712085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).