1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidin-3-ol

C19H27N3O — CID 77083235

IUPAC1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidin-3-ol
SMILESCc1ccccc1C1(O)CCN(Cc2cc(C(C)(C)C)n[nH]2)C1
InChIInChI=1S/C19H27N3O/c1-14-7-5-6-8-16(14)19(23)9-10-22(13-19)12-15-11-17(21-20-15)18(2,3)4/h5-8,11,23H,9-10,12-13H2,1-4H3,(H,20,21)
InChIKeyFCNYAWJUBAPZRM-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.11
Rot. Bonds3

About 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidin-3-ol

1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidin-3-ol (PubChem CID 77083235) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidin-3-ol
PubChem CID77083235
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidin-3-ol
SMILESCc1ccccc1C1(O)CCN(Cc2cc(C(C)(C)C)n[nH]2)C1
InChIInChI=1S/C19H27N3O/c1-14-7-5-6-8-16(14)19(23)9-10-22(13-19)12-15-11-17(21-20-15)18(2,3)4/h5-8,11,23H,9-10,12-13H2,1-4H3,(H,20,21)
InChIKeyFCNYAWJUBAPZRM-UHFFFAOYSA-N
XLogP3.11
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidin-3-ol?
The IUPAC name of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidin-3-ol (CID 77083235) is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidin-3-ol is Cc1ccccc1C1(O)CCN(Cc2cc(C(C)(C)C)n[nH]2)C1.
What is the InChIKey of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidin-3-ol?
The InChIKey is FCNYAWJUBAPZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-14-7-5-6-8-16(14)19(23)9-10-22(13-19)12-15-11-17(21-20-15)18(2,3)4/h5-8,11,23H,9-10,12-13H2,1-4H3,(H,20,21).
What are the key properties of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidin-3-ol?
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidin-3-ol has a molecular weight of 313.45 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 77083235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).