1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol

C14H25N3O — CID 56780852

IUPAC1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
SMILESCc1cc(C)n(CC2CCCN2CC(C)(C)O)n1
InChIInChI=1S/C14H25N3O/c1-11-8-12(2)17(15-11)9-13-6-5-7-16(13)10-14(3,4)18/h8,13,18H,5-7,9-10H2,1-4H3
InChIKeyAIVNQHJJMKROCE-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.74
Rot. Bonds4

About 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol

1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol (PubChem CID 56780852) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
PubChem CID56780852
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
SMILESCc1cc(C)n(CC2CCCN2CC(C)(C)O)n1
InChIInChI=1S/C14H25N3O/c1-11-8-12(2)17(15-11)9-13-6-5-7-16(13)10-14(3,4)18/h8,13,18H,5-7,9-10H2,1-4H3
InChIKeyAIVNQHJJMKROCE-UHFFFAOYSA-N
XLogP1.74
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-[[(2R)-1-propylpyrrolidin-2-yl]methyl]pyrazole
CID 95341471
3,5-dimethyl-1-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]pyrazole
CID 95341473
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 56780552
1-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 95609700
1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 56780851
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine
CID 95609740
1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 141327365
3,5-dimethyl-1-[[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]pyrazole
CID 95609731
3,5-dimethyl-1-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrazole
CID 56780569
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylpyrazine
CID 95750517
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 95350038
3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide
CID 95344084

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol (CID 56780852) is 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol is Cc1cc(C)n(CC2CCCN2CC(C)(C)O)n1.
What is the InChIKey of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is AIVNQHJJMKROCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11-8-12(2)17(15-11)9-13-6-5-7-16(13)10-14(3,4)18/h8,13,18H,5-7,9-10H2,1-4H3.
What are the key properties of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol?
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 56780852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).