(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide

C22H29FN4O2 — CID 118870540

IUPAC(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CCC(c2cnn(CCN3CCCC3)c2)C1
InChIInChI=1S/C22H29FN4O2/c1-16-19(5-4-6-20(16)23)22(21(28)25-29)8-7-17(13-22)18-14-24-27(15-18)12-11-26-9-2-3-10-26/h4-6,14-15,17,29H,2-3,7-13H2,1H3,(H,25,28)/t17?,22-/m0/s1
InChIKeyGIOALQCMPZEZPO-UGNFMNBCSA-N
MW400.50 g/mol
LogP3.14
Rot. Bonds6

About (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide

(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide (PubChem CID 118870540) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
PubChem CID118870540
Molecular FormulaC22H29FN4O2
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC Name(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CCC(c2cnn(CCN3CCCC3)c2)C1
InChIInChI=1S/C22H29FN4O2/c1-16-19(5-4-6-20(16)23)22(21(28)25-29)8-7-17(13-22)18-14-24-27(15-18)12-11-26-9-2-3-10-26/h4-6,14-15,17,29H,2-3,7-13H2,1H3,(H,25,28)/t17?,22-/m0/s1
InChIKeyGIOALQCMPZEZPO-UGNFMNBCSA-N
XLogP3.14
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide?
The IUPAC name of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide (CID 118870540) is (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide?
The canonical SMILES for (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide is Cc1c(F)cccc1[C@]1(C(=O)NO)CCC(c2cnn(CCN3CCCC3)c2)C1.
What is the InChIKey of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide?
The InChIKey is GIOALQCMPZEZPO-UGNFMNBCSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-16-19(5-4-6-20(16)23)22(21(28)25-29)8-7-17(13-22)18-14-24-27(15-18)12-11-26-9-2-3-10-26/h4-6,14-15,17,29H,2-3,7-13H2,1H3,(H,25,28)/t17?,22-/m0/s1.
What are the key properties of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide?
(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 118870540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).