5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-1H-pyrazole

C14H16FN3O — CID 141369908

IUPAC5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-1H-pyrazole
SMILESCOc1ccc(F)cc1[C@H]1CCCN1c1ccn[nH]1
InChIInChI=1S/C14H16FN3O/c1-19-13-5-4-10(15)9-11(13)12-3-2-8-18(12)14-6-7-16-17-14/h4-7,9,12H,2-3,8H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyIKHJPVXLQGSFJJ-GFCCVEGCSA-N
MW261.30 g/mol
LogP2.90
Rot. Bonds3

About 5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-1H-pyrazole

5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-1H-pyrazole (PubChem CID 141369908) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-1H-pyrazole
PubChem CID141369908
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-1H-pyrazole
SMILESCOc1ccc(F)cc1[C@H]1CCCN1c1ccn[nH]1
InChIInChI=1S/C14H16FN3O/c1-19-13-5-4-10(15)9-11(13)12-3-2-8-18(12)14-6-7-16-17-14/h4-7,9,12H,2-3,8H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyIKHJPVXLQGSFJJ-GFCCVEGCSA-N
XLogP2.90
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxybenzyl)-1H-pyrazol-5-amine
CID 3161263
(6R)-N-ethyl-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene-17-carboxamide
CID 54670446
(6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene
CID 70168482
6-Fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene
CID 166630768
N-[(2,5-dimethoxyphenyl)methyl]-1H-pyrazol-5-amine
CID 71848012
3-(2-methoxybenzyl)-5-[3-(1H-pyrazol-1-yl)propyl]-1H-1,2,4-triazole
CID 131911796
N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173779
N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide
CID 59173962
5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine
CID 66865051
5-fluoro-2-methoxy-3-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine
CID 66865744
4-[2-[3-fluoro-5-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine
CID 66897527
4-[2-[4-fluoro-2-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine
CID 66898064

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-1H-pyrazole?
The IUPAC name of 5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-1H-pyrazole (CID 141369908) is 5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-1H-pyrazole.
What is the SMILES notation for 5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-1H-pyrazole?
The canonical SMILES for 5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-1H-pyrazole is COc1ccc(F)cc1[C@H]1CCCN1c1ccn[nH]1.
What is the InChIKey of 5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-1H-pyrazole?
The InChIKey is IKHJPVXLQGSFJJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-19-13-5-4-10(15)9-11(13)12-3-2-8-18(12)14-6-7-16-17-14/h4-7,9,12H,2-3,8H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of 5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-1H-pyrazole?
5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-1H-pyrazole has a molecular weight of 261.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-1H-pyrazole is sourced from PubChem (CID 141369908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).