1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide

C18H22FN3O2 — CID 109399843

IUPAC1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CC2CCCC2O)cnn1-c1ccccc1F
InChIInChI=1S/C18H22FN3O2/c1-12-14(10-20-22(12)16-8-4-3-7-15(16)19)18(24)21(2)11-13-6-5-9-17(13)23/h3-4,7-8,10,13,17,23H,5-6,9,11H2,1-2H3
InChIKeyMSVPYJGKQKBWAL-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.55
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide

1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide (PubChem CID 109399843) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
PubChem CID109399843
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CC2CCCC2O)cnn1-c1ccccc1F
InChIInChI=1S/C18H22FN3O2/c1-12-14(10-20-22(12)16-8-4-3-7-15(16)19)18(24)21(2)11-13-6-5-9-17(13)23/h3-4,7-8,10,13,17,23H,5-6,9,11H2,1-2H3
InChIKeyMSVPYJGKQKBWAL-UHFFFAOYSA-N
XLogP2.55
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide
CID 109400380
1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 134026351
N-[2-(diethylamino)-2-oxoethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 39948043
1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 134047410
3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397117
2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid
CID 119202793
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 55521884
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 134026359
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
CID 109400475
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 71897836
N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide
CID 111596653
1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 71850172

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide (CID 109399843) is 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)CC2CCCC2O)cnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide?
The InChIKey is MSVPYJGKQKBWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-12-14(10-20-22(12)16-8-4-3-7-15(16)19)18(24)21(2)11-13-6-5-9-17(13)23/h3-4,7-8,10,13,17,23H,5-6,9,11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 109399843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).