(1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol

C11H21N3O — CID 118203086

IUPAC(1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol
SMILESCC(C)C[C@@H]([C@H](O)c1cn[nH]c1)N(C)C
InChIInChI=1S/C11H21N3O/c1-8(2)5-10(14(3)4)11(15)9-6-12-13-7-9/h6-8,10-11,15H,5H2,1-4H3,(H,12,13)/t10-,11+/m0/s1
InChIKeyXCPAMLGMWFAMCS-WDEREUQCSA-N
MW211.31 g/mol
LogP1.42
Rot. Bonds5

About (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol

(1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol (PubChem CID 118203086) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol
PubChem CID118203086
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol
SMILESCC(C)C[C@@H]([C@H](O)c1cn[nH]c1)N(C)C
InChIInChI=1S/C11H21N3O/c1-8(2)5-10(14(3)4)11(15)9-6-12-13-7-9/h6-8,10-11,15H,5H2,1-4H3,(H,12,13)/t10-,11+/m0/s1
InChIKeyXCPAMLGMWFAMCS-WDEREUQCSA-N
XLogP1.42
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol?
The IUPAC name of (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol (CID 118203086) is (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol.
What is the SMILES notation for (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol?
The canonical SMILES for (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol is CC(C)C[C@@H]([C@H](O)c1cn[nH]c1)N(C)C.
What is the InChIKey of (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol?
The InChIKey is XCPAMLGMWFAMCS-WDEREUQCSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)5-10(14(3)4)11(15)9-6-12-13-7-9/h6-8,10-11,15H,5H2,1-4H3,(H,12,13)/t10-,11+/m0/s1.
What are the key properties of (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol?
(1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol is sourced from PubChem (CID 118203086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).