5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide

C18H16FN5O2 — CID 118559901

IUPAC5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
SMILESCc1c(F)cccc1C1(C(=O)NO)Cc2cnn(-c3cnccn3)c2C1
InChIInChI=1S/C18H16FN5O2/c1-11-13(3-2-4-14(11)19)18(17(25)23-26)7-12-9-22-24(15(12)8-18)16-10-20-5-6-21-16/h2-6,9-10,26H,7-8H2,1H3,(H,23,25)
InChIKeyVCQDHQZHPNUNHZ-UHFFFAOYSA-N
MW353.36 g/mol
LogP1.65
Rot. Bonds3

About 5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide

5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide (PubChem CID 118559901) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
PubChem CID118559901
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
SMILESCc1c(F)cccc1C1(C(=O)NO)Cc2cnn(-c3cnccn3)c2C1
InChIInChI=1S/C18H16FN5O2/c1-11-13(3-2-4-14(11)19)18(17(25)23-26)7-12-9-22-24(15(12)8-18)16-10-20-5-6-21-16/h2-6,9-10,26H,7-8H2,1H3,(H,23,25)
InChIKeyVCQDHQZHPNUNHZ-UHFFFAOYSA-N
XLogP1.65
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559976
1-(2-fluoro-6-methylphenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559865
5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(3-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559969
1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118560026
6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide
CID 118559857
5-(3-fluoro-2-methylphenyl)-2-(3-fluoro-2-pyridinyl)-N-hydroxy-4,6-dihydrocyclopenta[c]pyrazole-5-carboxamide
CID 118560052
1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-pyridin-3-ylcyclopentane-1-carboxamide
CID 86273207
(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide
CID 118569847
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide
CID 86273456
trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 86272515
(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 118870540
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide
CID 86272519

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
The IUPAC name of 5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide (CID 118559901) is 5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide.
What is the SMILES notation for 5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
The canonical SMILES for 5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide is Cc1c(F)cccc1C1(C(=O)NO)Cc2cnn(-c3cnccn3)c2C1.
What is the InChIKey of 5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
The InChIKey is VCQDHQZHPNUNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-11-13(3-2-4-14(11)19)18(17(25)23-26)7-12-9-22-24(15(12)8-18)16-10-20-5-6-21-16/h2-6,9-10,26H,7-8H2,1H3,(H,23,25).
What are the key properties of 5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide has a molecular weight of 353.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide is sourced from PubChem (CID 118559901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).