(2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol

C17H30N4O2 — CID 95610429

IUPAC(2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCc1cc(C)n(C[C@H]2CCCN2C[C@H](O)CN2CCOCC2)n1
InChIInChI=1S/C17H30N4O2/c1-14-10-15(2)21(18-14)11-16-4-3-5-20(16)13-17(22)12-19-6-8-23-9-7-19/h10,16-17,22H,3-9,11-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyGTBRSHRDAPJTIE-IAGOWNOFSA-N
MW322.45 g/mol
LogP0.66
Rot. Bonds6

About (2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol

(2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 95610429) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID95610429
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCc1cc(C)n(C[C@H]2CCCN2C[C@H](O)CN2CCOCC2)n1
InChIInChI=1S/C17H30N4O2/c1-14-10-15(2)21(18-14)11-16-4-3-5-20(16)13-17(22)12-19-6-8-23-9-7-19/h10,16-17,22H,3-9,11-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyGTBRSHRDAPJTIE-IAGOWNOFSA-N
XLogP0.66
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95611667
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 56781089
3,5-dimethyl-1-[[(2R)-1-propylpyrrolidin-2-yl]methyl]pyrazole
CID 95341471
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
CID 56780852
1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 56780851
(2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129461226
1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 141327365
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
(2S)-1-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 100842266
1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 111452480
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 95350038

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 95610429) is (2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol is Cc1cc(C)n(C[C@H]2CCCN2C[C@H](O)CN2CCOCC2)n1.
What is the InChIKey of (2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is GTBRSHRDAPJTIE-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-14-10-15(2)21(18-14)11-16-4-3-5-20(16)13-17(22)12-19-6-8-23-9-7-19/h10,16-17,22H,3-9,11-13H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol?
(2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 322.45 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 95610429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).