4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol

C8H15N3O2 — CID 171880658

IUPAC4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol
SMILESCn1cc(C(O)C(O)CCN)cn1
InChIInChI=1S/C8H15N3O2/c1-11-5-6(4-10-11)8(13)7(12)2-3-9/h4-5,7-8,12-13H,2-3,9H2,1H3
InChIKeyVSYJWIVAXOZSKQ-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.84
Rot. Bonds4

About 4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol

4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol (PubChem CID 171880658) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol
PubChem CID171880658
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol
SMILESCn1cc(C(O)C(O)CCN)cn1
InChIInChI=1S/C8H15N3O2/c1-11-5-6(4-10-11)8(13)7(12)2-3-9/h4-5,7-8,12-13H,2-3,9H2,1H3
InChIKeyVSYJWIVAXOZSKQ-UHFFFAOYSA-N
XLogP-0.84
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-4-yl)pentane-1,2-diol
CID 103454881
ethyl 3,4-dihydroxy-4-(1-methylpyrazol-4-yl)butanoate
CID 171896783
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine
CID 82534762
1-amino-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 82412738
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
2-[hydroxy-(1-methylpyrazol-4-yl)methyl]butanenitrile
CID 79137488
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
[1-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methanol
CID 79135001
benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate
CID 171855323
4-amino-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-one
CID 116594802

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol (CID 171880658) is 4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol is Cn1cc(C(O)C(O)CCN)cn1.
What is the InChIKey of 4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol?
The InChIKey is VSYJWIVAXOZSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-11-5-6(4-10-11)8(13)7(12)2-3-9/h4-5,7-8,12-13H,2-3,9H2,1H3.
What are the key properties of 4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol?
4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol has a molecular weight of 185.23 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol is sourced from PubChem (CID 171880658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).