2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine

C20H23N5O2 — CID 95831495

IUPAC2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine
SMILESCOc1cccc(OCCc2cc([C@@H]3CCN(c4ncccn4)C3)n[nH]2)c1
InChIInChI=1S/C20H23N5O2/c1-26-17-4-2-5-18(13-17)27-11-7-16-12-19(24-23-16)15-6-10-25(14-15)20-21-8-3-9-22-20/h2-5,8-9,12-13,15H,6-7,10-11,14H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyNMOZIVNBMZORBH-OAHLLOKOSA-N
MW365.44 g/mol
LogP2.82
Rot. Bonds7

About 2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine

2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine (PubChem CID 95831495) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine
PubChem CID95831495
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine
SMILESCOc1cccc(OCCc2cc([C@@H]3CCN(c4ncccn4)C3)n[nH]2)c1
InChIInChI=1S/C20H23N5O2/c1-26-17-4-2-5-18(13-17)27-11-7-16-12-19(24-23-16)15-6-10-25(14-15)20-21-8-3-9-22-20/h2-5,8-9,12-13,15H,6-7,10-11,14H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyNMOZIVNBMZORBH-OAHLLOKOSA-N
XLogP2.82
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(3S)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 95831851
2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
CID 95840747
5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
CID 95831365
5-[2-(3-methoxyphenoxy)ethyl]-3-[(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]-1H-pyrazole
CID 95831669
2-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-4,6-dimethylpyrimidine
CID 110261352
1-[(3S)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95831469
1-[(3S)-3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95831473
5-[2-(3-fluorophenoxy)ethyl]-3-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole
CID 110261272
(2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine
CID 125011961
[(3S)-3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone
CID 95831825
3-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]-5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazole
CID 110261534
1-[(3S)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 95831447

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine (CID 95831495) is 2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine is COc1cccc(OCCc2cc([C@@H]3CCN(c4ncccn4)C3)n[nH]2)c1.
What is the InChIKey of 2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine?
The InChIKey is NMOZIVNBMZORBH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-26-17-4-2-5-18(13-17)27-11-7-16-12-19(24-23-16)15-6-10-25(14-15)20-21-8-3-9-22-20/h2-5,8-9,12-13,15H,6-7,10-11,14H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine?
2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine has a molecular weight of 365.44 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 95831495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).