5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole

C20H24ClN5O — CID 110261448

IUPAC5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole
SMILESCn1nccc1CN1CCC(c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1
InChIInChI=1S/C20H24ClN5O/c1-25-18(6-9-22-25)14-26-10-7-15(13-26)20-12-17(23-24-20)8-11-27-19-4-2-16(21)3-5-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3,(H,23,24)
InChIKeyUNQAHLCDCJGBQP-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.41
Rot. Bonds7

About 5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole

5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole (PubChem CID 110261448) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole
PubChem CID110261448
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole
SMILESCn1nccc1CN1CCC(c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1
InChIInChI=1S/C20H24ClN5O/c1-25-18(6-9-22-25)14-26-10-7-15(13-26)20-12-17(23-24-20)8-11-27-19-4-2-16(21)3-5-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3,(H,23,24)
InChIKeyUNQAHLCDCJGBQP-UHFFFAOYSA-N
XLogP3.41
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine
CID 125021223
1-methyl-5-[[(3R)-3-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole
CID 95831704
2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 127250858
3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
CID 95831308
5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
CID 95831365
(3S)-3-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide
CID 95831439
2-[(3R)-3-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 95831352
2-[(3S)-3-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 95831351
1-[3-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110261379
(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine
CID 124964102
(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine
CID 124964103
1,3-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole
CID 110261390

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole?
The IUPAC name of 5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole (CID 110261448) is 5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole.
What is the SMILES notation for 5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole?
The canonical SMILES for 5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole is Cn1nccc1CN1CCC(c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1.
What is the InChIKey of 5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole?
The InChIKey is UNQAHLCDCJGBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c1-25-18(6-9-22-25)14-26-10-7-15(13-26)20-12-17(23-24-20)8-11-27-19-4-2-16(21)3-5-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3,(H,23,24).
What are the key properties of 5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole?
5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole has a molecular weight of 385.90 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole is sourced from PubChem (CID 110261448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).