4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol

C12H23N3O2 — CID 114151438

IUPAC4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
SMILESCCCn1nccc1CNC(CCO)COC
InChIInChI=1S/C12H23N3O2/c1-3-7-15-12(4-6-14-15)9-13-11(5-8-16)10-17-2/h4,6,11,13,16H,3,5,7-10H2,1-2H3
InChIKeyGWTZESRLVYSBJS-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.78
Rot. Bonds9

About 4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol

4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol (PubChem CID 114151438) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
PubChem CID114151438
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
SMILESCCCn1nccc1CNC(CCO)COC
InChIInChI=1S/C12H23N3O2/c1-3-7-15-12(4-6-14-15)9-13-11(5-8-16)10-17-2/h4,6,11,13,16H,3,5,7-10H2,1-2H3
InChIKeyGWTZESRLVYSBJS-UHFFFAOYSA-N
XLogP0.78
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106348790
(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 104939501
4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 114555939
4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 106159828
(2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 107862442
2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115762526
3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
CID 114555629
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate
CID 114555320
(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
CID 107862266
5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
CID 103389928
N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine
CID 114556013

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol (CID 114151438) is 4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol is CCCn1nccc1CNC(CCO)COC.
What is the InChIKey of 4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol?
The InChIKey is GWTZESRLVYSBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-7-15-12(4-6-14-15)9-13-11(5-8-16)10-17-2/h4,6,11,13,16H,3,5,7-10H2,1-2H3.
What are the key properties of 4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol?
4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 0.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol is sourced from PubChem (CID 114151438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).