[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C18H23N3O2 — CID 51116149

IUPAC[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2cc(C(C)C)[nH]n2)cc1
InChIInChI=1S/C18H23N3O2/c1-12(2)15-11-16(20-19-15)18(22)21-10-4-5-17(21)13-6-8-14(23-3)9-7-13/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,19,20)
InChIKeyIDXWRSUHTYBBFN-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.52
Rot. Bonds4

About [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 51116149) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID51116149
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2cc(C(C)C)[nH]n2)cc1
InChIInChI=1S/C18H23N3O2/c1-12(2)15-11-16(20-19-15)18(22)21-10-4-5-17(21)13-6-8-14(23-3)9-7-13/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,19,20)
InChIKeyIDXWRSUHTYBBFN-UHFFFAOYSA-N
XLogP3.52
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(5-methoxy-3-methyl-1H-indol-2-yl)-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
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cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 51116149) is [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is COc1ccc(C2CCCN2C(=O)c2cc(C(C)C)[nH]n2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is IDXWRSUHTYBBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(2)15-11-16(20-19-15)18(22)21-10-4-5-17(21)13-6-8-14(23-3)9-7-13/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,19,20).
What are the key properties of [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 51116149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).