4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole

C14H17N3O — CID 95839872

IUPAC4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole
SMILESCOc1cccc(-c2cn[nH]c2[C@@H]2CCCN2)c1
InChIInChI=1S/C14H17N3O/c1-18-11-5-2-4-10(8-11)12-9-16-17-14(12)13-6-3-7-15-13/h2,4-5,8-9,13,15H,3,6-7H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyUKUKVTKYOLSSGP-ZDUSSCGKSA-N
MW243.31 g/mol
LogP2.51
Rot. Bonds3

About 4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole

4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole (PubChem CID 95839872) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole
PubChem CID95839872
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole
SMILESCOc1cccc(-c2cn[nH]c2[C@@H]2CCCN2)c1
InChIInChI=1S/C14H17N3O/c1-18-11-5-2-4-10(8-11)12-9-16-17-14(12)13-6-3-7-15-13/h2,4-5,8-9,13,15H,3,6-7H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyUKUKVTKYOLSSGP-ZDUSSCGKSA-N
XLogP2.51
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 95814820
4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110268772
4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole
CID 115046230
4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole
CID 95730730
2-(azepan-1-yl)-1-[2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 110268780
4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine
CID 56749521
(1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70737159
4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline
CID 95840267
1-[2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110268794
3-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 82380463
2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271162
[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 70785248

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole?
The IUPAC name of 4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole (CID 95839872) is 4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole.
What is the SMILES notation for 4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole?
The canonical SMILES for 4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole is COc1cccc(-c2cn[nH]c2[C@@H]2CCCN2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole?
The InChIKey is UKUKVTKYOLSSGP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-11-5-2-4-10(8-11)12-9-16-17-14(12)13-6-3-7-15-13/h2,4-5,8-9,13,15H,3,6-7H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole?
4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole has a molecular weight of 243.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole is sourced from PubChem (CID 95839872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).