N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide

C21H22FN5O — CID 169176342

IUPACN-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC2c2ccnn2C)cc1-c1ncc(F)cn1
InChIInChI=1S/C21H22FN5O/c1-13-6-7-15(10-18(13)20-23-11-14(22)12-24-20)26-21(28)17-5-3-4-16(17)19-8-9-25-27(19)2/h6-12,16-17H,3-5H2,1-2H3,(H,26,28)
InChIKeyYRGVBOXPYDLAOW-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.85
Rot. Bonds4

About N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide

N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide (PubChem CID 169176342) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide
PubChem CID169176342
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC NameN-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC2c2ccnn2C)cc1-c1ncc(F)cn1
InChIInChI=1S/C21H22FN5O/c1-13-6-7-15(10-18(13)20-23-11-14(22)12-24-20)26-21(28)17-5-3-4-16(17)19-8-9-25-27(19)2/h6-12,16-17H,3-5H2,1-2H3,(H,26,28)
InChIKeyYRGVBOXPYDLAOW-UHFFFAOYSA-N
XLogP3.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 169176075
(2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide
CID 169176512
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide
CID 169176409
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide
CID 169176102
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-7-azabicyclo[4.2.0]octane-7-carboxamide
CID 169176474
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
CID 169175838
(7R)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-7-methyl-2-pyrimidin-2-yl-2-azabicyclo[4.1.0]heptane-3-carboxamide
CID 169175899
(3R,4S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-4-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 169176649
(2S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-3-iodo-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 169176862
(1R,3R,5R)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-pyrimidin-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 169176239
(2R,4S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-4-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 169176187
(1R,3S,5R)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-pyrazin-2-yl-2-azabicyclo[3.2.0]hept-6-yne-3-carboxamide
CID 169177133

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide (CID 169176342) is N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide is Cc1ccc(NC(=O)C2CCCC2c2ccnn2C)cc1-c1ncc(F)cn1.
What is the InChIKey of N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide?
The InChIKey is YRGVBOXPYDLAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-13-6-7-15(10-18(13)20-23-11-14(22)12-24-20)26-21(28)17-5-3-4-16(17)19-8-9-25-27(19)2/h6-12,16-17H,3-5H2,1-2H3,(H,26,28).
What are the key properties of N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide?
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 169176342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).