(3S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,4,4-trimethylpyrrolidin-3-ol

C15H27N3O — CID 133125217

IUPAC(3S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,4,4-trimethylpyrrolidin-3-ol
SMILESCc1cc(C)n(CCCN2CC(C)(C)[C@](C)(O)C2)n1
InChIInChI=1S/C15H27N3O/c1-12-9-13(2)18(16-12)8-6-7-17-10-14(3,4)15(5,19)11-17/h9,19H,6-8,10-11H2,1-5H3/t15-/m1/s1
InChIKeyUPZMYGLNXFHJKF-OAHLLOKOSA-N
MW265.40 g/mol
LogP1.98
Rot. Bonds4

About (3S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,4,4-trimethylpyrrolidin-3-ol

(3S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,4,4-trimethylpyrrolidin-3-ol (PubChem CID 133125217) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (3S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,4,4-trimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,4,4-trimethylpyrrolidin-3-ol
PubChem CID133125217
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(3S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,4,4-trimethylpyrrolidin-3-ol
SMILESCc1cc(C)n(CCCN2CC(C)(C)[C@](C)(O)C2)n1
InChIInChI=1S/C15H27N3O/c1-12-9-13(2)18(16-12)8-6-7-17-10-14(3,4)15(5,19)11-17/h9,19H,6-8,10-11H2,1-5H3/t15-/m1/s1
InChIKeyUPZMYGLNXFHJKF-OAHLLOKOSA-N
XLogP1.98
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chlorohexyl)-3,5-dimethylpyrazole
CID 62227990
(3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine
CID 86283336
4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CID 124995877
3,5-dimethyl-1-(4,4,4-trifluorobutyl)pyrazole
CID 115518541
N-[[1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 114537124
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
CID 122626197
[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol
CID 114541583
1,4-bis(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 102166636
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111279158
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536339
3-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 114536437
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426633

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,4,4-trimethylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,4,4-trimethylpyrrolidin-3-ol (CID 133125217) is (3S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,4,4-trimethylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,4,4-trimethylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,4,4-trimethylpyrrolidin-3-ol is Cc1cc(C)n(CCCN2CC(C)(C)[C@](C)(O)C2)n1.
What is the InChIKey of (3S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,4,4-trimethylpyrrolidin-3-ol?
The InChIKey is UPZMYGLNXFHJKF-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12-9-13(2)18(16-12)8-6-7-17-10-14(3,4)15(5,19)11-17/h9,19H,6-8,10-11H2,1-5H3/t15-/m1/s1.
What are the key properties of (3S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,4,4-trimethylpyrrolidin-3-ol?
(3S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,4,4-trimethylpyrrolidin-3-ol has a molecular weight of 265.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,4,4-trimethylpyrrolidin-3-ol is sourced from PubChem (CID 133125217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).