(3R,5R)-1-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol

C16H20FN3O — CID 129350981

IUPAC(3R,5R)-1-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol
SMILESCCn1cc(CN2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cn1
InChIInChI=1S/C16H20FN3O/c1-2-20-10-12(8-18-20)9-19-11-15(21)7-16(19)13-3-5-14(17)6-4-13/h3-6,8,10,15-16,21H,2,7,9,11H2,1H3/t15-,16-/m1/s1
InChIKeyQAGXKAYCAVWANT-HZPDHXFCSA-N
MW289.35 g/mol
LogP2.35
Rot. Bonds4

About (3R,5R)-1-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol

(3R,5R)-1-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol (PubChem CID 129350981) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is (3R,5R)-1-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol
PubChem CID129350981
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name(3R,5R)-1-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol
SMILESCCn1cc(CN2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cn1
InChIInChI=1S/C16H20FN3O/c1-2-20-10-12(8-18-20)9-19-11-15(21)7-16(19)13-3-5-14(17)6-4-13/h3-6,8,10,15-16,21H,2,7,9,11H2,1H3/t15-,16-/m1/s1
InChIKeyQAGXKAYCAVWANT-HZPDHXFCSA-N
XLogP2.35
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol (CID 129350981) is (3R,5R)-1-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol is CCn1cc(CN2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cn1.
What is the InChIKey of (3R,5R)-1-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol?
The InChIKey is QAGXKAYCAVWANT-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-2-20-10-12(8-18-20)9-19-11-15(21)7-16(19)13-3-5-14(17)6-4-13/h3-6,8,10,15-16,21H,2,7,9,11H2,1H3/t15-,16-/m1/s1.
What are the key properties of (3R,5R)-1-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol?
(3R,5R)-1-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol has a molecular weight of 289.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 129350981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).