4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole

C19H27N3O — CID 99946184

IUPAC4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole
SMILESCCCn1ncc(CN2CCC[C@@H]2c2cccc(OC)c2)c1C
InChIInChI=1S/C19H27N3O/c1-4-10-22-15(2)17(13-20-22)14-21-11-6-9-19(21)16-7-5-8-18(12-16)23-3/h5,7-8,12-13,19H,4,6,9-11,14H2,1-3H3/t19-/m1/s1
InChIKeyIIIDPCPVUIVEIO-LJQANCHMSA-N
MW313.45 g/mol
LogP3.95
Rot. Bonds6

About 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole

4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole (PubChem CID 99946184) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole.

Molecular Properties

Compound Name4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole
PubChem CID99946184
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole
SMILESCCCn1ncc(CN2CCC[C@@H]2c2cccc(OC)c2)c1C
InChIInChI=1S/C19H27N3O/c1-4-10-22-15(2)17(13-20-22)14-21-11-6-9-19(21)16-7-5-8-18(12-16)23-3/h5,7-8,12-13,19H,4,6,9-11,14H2,1-3H3/t19-/m1/s1
InChIKeyIIIDPCPVUIVEIO-LJQANCHMSA-N
XLogP3.95
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole?
The IUPAC name of 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole (CID 99946184) is 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole.
What is the SMILES notation for 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole?
The canonical SMILES for 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole is CCCn1ncc(CN2CCC[C@@H]2c2cccc(OC)c2)c1C.
What is the InChIKey of 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole?
The InChIKey is IIIDPCPVUIVEIO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H27N3O/c1-4-10-22-15(2)17(13-20-22)14-21-11-6-9-19(21)16-7-5-8-18(12-16)23-3/h5,7-8,12-13,19H,4,6,9-11,14H2,1-3H3/t19-/m1/s1.
What are the key properties of 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole?
4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole has a molecular weight of 313.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole is sourced from PubChem (CID 99946184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).