(2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol

C17H33N5O — CID 95139447

IUPAC(2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(C)c1nn(C)c(N(C)C)c1CNC[C@@H](O)CN1CCCC1
InChIInChI=1S/C17H33N5O/c1-13(2)16-15(17(20(3)4)21(5)19-16)11-18-10-14(23)12-22-8-6-7-9-22/h13-14,18,23H,6-12H2,1-5H3/t14-/m1/s1
InChIKeyHBHIMMWZOANPSI-CQSZACIVSA-N
MW323.49 g/mol
LogP1.16
Rot. Bonds8

About (2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol

(2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 95139447) has the molecular formula C17H33N5O and a molecular weight of 323.49 g/mol. Its IUPAC name is (2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID95139447
Molecular FormulaC17H33N5O
Molecular Weight323.49 g/mol
Exact Mass323.27
IUPAC Name(2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(C)c1nn(C)c(N(C)C)c1CNC[C@@H](O)CN1CCCC1
InChIInChI=1S/C17H33N5O/c1-13(2)16-15(17(20(3)4)21(5)19-16)11-18-10-14(23)12-22-8-6-7-9-22/h13-14,18,23H,6-12H2,1-5H3/t14-/m1/s1
InChIKeyHBHIMMWZOANPSI-CQSZACIVSA-N
XLogP1.16
TPSA56.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol
CID 51104909
N,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine
CID 95139724
1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 111421651
1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 51105247
1-[4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]phenyl]ethanol
CID 51105252
(1R,8aR)-N-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 95274939
N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 51105240
(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 95140170
N-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methyl]-N'-pyrimidin-2-ylethane-1,2-diamine
CID 51105276
4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide
CID 51104983
5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 51105016
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol (CID 95139447) is (2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol is CC(C)c1nn(C)c(N(C)C)c1CNC[C@@H](O)CN1CCCC1.
What is the InChIKey of (2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is HBHIMMWZOANPSI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H33N5O/c1-13(2)16-15(17(20(3)4)21(5)19-16)11-18-10-14(23)12-22-8-6-7-9-22/h13-14,18,23H,6-12H2,1-5H3/t14-/m1/s1.
What are the key properties of (2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
(2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 323.49 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 95139447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).