(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol

C11H21N3O2 — CID 79253702

IUPAC(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCc1cnn(CCO)c1
InChIInChI=1S/C11H21N3O2/c1-9(2)11(8-16)12-5-10-6-13-14(7-10)3-4-15/h6-7,9,11-12,15-16H,3-5,8H2,1-2H3/t11-/m1/s1
InChIKeyIZVMRULUDLSHGF-LLVKDONJSA-N
MW227.31 g/mol
LogP-0.02
Rot. Bonds7

About (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol

(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol (PubChem CID 79253702) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
PubChem CID79253702
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCc1cnn(CCO)c1
InChIInChI=1S/C11H21N3O2/c1-9(2)11(8-16)12-5-10-6-13-14(7-10)3-4-15/h6-7,9,11-12,15-16H,3-5,8H2,1-2H3/t11-/m1/s1
InChIKeyIZVMRULUDLSHGF-LLVKDONJSA-N
XLogP-0.02
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 64830214
2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 114130166
2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632221
2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64831182
2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64830577
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol
CID 107862327
2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64829552
4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol
CID 64829211
2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
CID 81363715
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031
4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol
CID 103700974
2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol
CID 64829572

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol (CID 79253702) is (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)NCc1cnn(CCO)c1.
What is the InChIKey of (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol?
The InChIKey is IZVMRULUDLSHGF-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9(2)11(8-16)12-5-10-6-13-14(7-10)3-4-15/h6-7,9,11-12,15-16H,3-5,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol?
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol has a molecular weight of 227.31 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 79253702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).