(4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone

C20H17ClFN3O — CID 95840145

IUPAC(4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1[nH]ncc1-c1ccc(F)cc1
InChIInChI=1S/C20H17ClFN3O/c21-15-7-3-14(4-8-15)20(26)25-11-1-2-18(25)19-17(12-23-24-19)13-5-9-16(22)10-6-13/h3-10,12,18H,1-2,11H2,(H,23,24)/t18-/m1/s1
InChIKeyARUPLTXHPCVYLS-GOSISDBHSA-N
MW369.83 g/mol
LogP4.85
Rot. Bonds3

About (4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone

(4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone (PubChem CID 95840145) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
PubChem CID95840145
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name(4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1[nH]ncc1-c1ccc(F)cc1
InChIInChI=1S/C20H17ClFN3O/c21-15-7-3-14(4-8-15)20(26)25-11-1-2-18(25)19-17(12-23-24-19)13-5-9-16(22)10-6-13/h3-10,12,18H,1-2,11H2,(H,23,24)/t18-/m1/s1
InChIKeyARUPLTXHPCVYLS-GOSISDBHSA-N
XLogP4.85
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-(2-methoxyethoxy)phenyl]-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
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[4-(pyrazol-1-ylmethyl)phenyl]-[2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
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[4-[2-(dimethylamino)ethoxy]phenyl]-[2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 132780300
[2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone
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cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
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(1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone (CID 95840145) is (4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1[nH]ncc1-c1ccc(F)cc1.
What is the InChIKey of (4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The InChIKey is ARUPLTXHPCVYLS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c21-15-7-3-14(4-8-15)20(26)25-11-1-2-18(25)19-17(12-23-24-19)13-5-9-16(22)10-6-13/h3-10,12,18H,1-2,11H2,(H,23,24)/t18-/m1/s1.
What are the key properties of (4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
(4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone has a molecular weight of 369.83 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95840145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).