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

C19H22FN3O2 — CID 118560025

IUPAC(5S)-1-cyclopentyl-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)Cc2cnn(C3CCCC3)c2C1
InChIInChI=1S/C19H22FN3O2/c1-12-15(7-4-8-16(12)20)19(18(24)22-25)9-13-11-21-23(17(13)10-19)14-5-2-3-6-14/h4,7-8,11,14,25H,2-3,5-6,9-10H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyVCMRQVYOIDBWLI-IBGZPJMESA-N
MW343.40 g/mol
LogP2.99
Rot. Bonds3

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

(5S)-1-cyclopentyl-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide (PubChem CID 118560025) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (5S)-1-cyclopentyl-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-1-cyclopentyl-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
PubChem CID118560025
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name(5S)-1-cyclopentyl-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)Cc2cnn(C3CCCC3)c2C1
InChIInChI=1S/C19H22FN3O2/c1-12-15(7-4-8-16(12)20)19(18(24)22-25)9-13-11-21-23(17(13)10-19)14-5-2-3-6-14/h4,7-8,11,14,25H,2-3,5-6,9-10H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyVCMRQVYOIDBWLI-IBGZPJMESA-N
XLogP2.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (5S)-1-cyclopentyl-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
The IUPAC name of (5S)-1-cyclopentyl-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide (CID 118560025) is (5S)-1-cyclopentyl-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide.
What is the SMILES notation for (5S)-1-cyclopentyl-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
The canonical SMILES for (5S)-1-cyclopentyl-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide is Cc1c(F)cccc1[C@]1(C(=O)NO)Cc2cnn(C3CCCC3)c2C1.
What is the InChIKey of (5S)-1-cyclopentyl-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
The InChIKey is VCMRQVYOIDBWLI-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-12-15(7-4-8-16(12)20)19(18(24)22-25)9-13-11-21-23(17(13)10-19)14-5-2-3-6-14/h4,7-8,11,14,25H,2-3,5-6,9-10H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of (5S)-1-cyclopentyl-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
(5S)-1-cyclopentyl-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-cyclopentyl-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide is sourced from PubChem (CID 118560025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).