1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol

C10H18N2O3 — CID 119055086

IUPAC1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol
SMILESCOCCCn1ccc(C(O)CCO)n1
InChIInChI=1S/C10H18N2O3/c1-15-8-2-5-12-6-3-9(11-12)10(14)4-7-13/h3,6,10,13-14H,2,4-5,7-8H2,1H3
InChIKeyGSQHGUGVQBJVSQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.34
Rot. Bonds7

About 1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol

1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol (PubChem CID 119055086) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol.

Molecular Properties

Compound Name1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol
PubChem CID119055086
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol
SMILESCOCCCn1ccc(C(O)CCO)n1
InChIInChI=1S/C10H18N2O3/c1-15-8-2-5-12-6-3-9(11-12)10(14)4-7-13/h3,6,10,13-14H,2,4-5,7-8H2,1H3
InChIKeyGSQHGUGVQBJVSQ-UHFFFAOYSA-N
XLogP0.34
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(1-butylpyrazol-3-yl)propane-1,3-diol
CID 129418616
1-(3-methoxypropyl)-3-propan-2-ylpyrazole
CID 129255782
(1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol
CID 129418649
3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole
CID 118157634
(1S)-1-[1-(2,2-dimethylpropyl)pyrazol-3-yl]propane-1,3-diol
CID 129418491
(1R)-1-[1-(cyclobutylmethyl)pyrazol-3-yl]propane-1,3-diol
CID 129433335
1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole
CID 103184144
2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide
CID 100616220
3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine
CID 31125984
1-(3-phenylpropyl)-3-propan-2-ylpyrazole
CID 66014343
ethane;1-(2-methoxyethyl)-3-methylpyrazole
CID 153333995
3-iodo-1-(2-methoxyethyl)pyrazole
CID 79788054

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol?
The IUPAC name of 1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol (CID 119055086) is 1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol.
What is the SMILES notation for 1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol?
The canonical SMILES for 1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol is COCCCn1ccc(C(O)CCO)n1.
What is the InChIKey of 1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol?
The InChIKey is GSQHGUGVQBJVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-15-8-2-5-12-6-3-9(11-12)10(14)4-7-13/h3,6,10,13-14H,2,4-5,7-8H2,1H3.
What are the key properties of 1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol?
1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol has a molecular weight of 214.26 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol is sourced from PubChem (CID 119055086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).