2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol

C10H19N3O2 — CID 95121354

IUPAC2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol
SMILESCC[C@H](NC(CO)CO)c1ccnn1C
InChIInChI=1S/C10H19N3O2/c1-3-9(12-8(6-14)7-15)10-4-5-11-13(10)2/h4-5,8-9,12,14-15H,3,6-7H2,1-2H3/t9-/m0/s1
InChIKeyPPRDDYJPFWBNLP-VIFPVBQESA-N
MW213.28 g/mol
LogP-0.19
Rot. Bonds6

About 2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol

2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol (PubChem CID 95121354) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol
PubChem CID95121354
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol
SMILESCC[C@H](NC(CO)CO)c1ccnn1C
InChIInChI=1S/C10H19N3O2/c1-3-9(12-8(6-14)7-15)10-4-5-11-13(10)2/h4-5,8-9,12,14-15H,3,6-7H2,1-2H3/t9-/m0/s1
InChIKeyPPRDDYJPFWBNLP-VIFPVBQESA-N
XLogP-0.19
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpyrazol-3-yl)propylhydrazine
CID 105200909
(2S)-2-(2-methylpyrazol-3-yl)propan-1-ol
CID 177004223
N,3-diethyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105176670
2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide
CID 50968548
3-hydroxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-2-carboxamide
CID 91773008
1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757101
2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
CID 91796797
5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide
CID 91783089
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
N-ethyl-3-methylidene-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105163864
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide
CID 104773164
1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine
CID 106757835

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol?
The IUPAC name of 2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol (CID 95121354) is 2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol is CC[C@H](NC(CO)CO)c1ccnn1C.
What is the InChIKey of 2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol?
The InChIKey is PPRDDYJPFWBNLP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-9(12-8(6-14)7-15)10-4-5-11-13(10)2/h4-5,8-9,12,14-15H,3,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol?
2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol has a molecular weight of 213.28 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol is sourced from PubChem (CID 95121354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).