3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol

C8H15N3O2 — CID 170827509

IUPAC3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol
SMILESCc1n[nH]c(C)c1C(O)C(O)CN
InChIInChI=1S/C8H15N3O2/c1-4-7(5(2)11-10-4)8(13)6(12)3-9/h6,8,12-13H,3,9H2,1-2H3,(H,10,11)
InChIKeyGTFFZVICFLJWOF-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.62
Rot. Bonds3

About 3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol

3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol (PubChem CID 170827509) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol
PubChem CID170827509
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol
SMILESCc1n[nH]c(C)c1C(O)C(O)CN
InChIInChI=1S/C8H15N3O2/c1-4-7(5(2)11-10-4)8(13)6(12)3-9/h6,8,12-13H,3,9H2,1-2H3,(H,10,11)
InChIKeyGTFFZVICFLJWOF-UHFFFAOYSA-N
XLogP-0.62
TPSA95.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol
CID 171861478
4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide
CID 171898617
1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol
CID 170818205
3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol
CID 170827482
3-amino-1-(4-hydroxy-2,6-dimethylphenyl)propane-1,2-diol
CID 170827987
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 51467588
1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol
CID 75357308
2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
CID 75655752
3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol
CID 170827544
2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 82416902
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride
CID 54592690
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid
CID 64975118

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol (CID 170827509) is 3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol is Cc1n[nH]c(C)c1C(O)C(O)CN.
What is the InChIKey of 3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol?
The InChIKey is GTFFZVICFLJWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-4-7(5(2)11-10-4)8(13)6(12)3-9/h6,8,12-13H,3,9H2,1-2H3,(H,10,11).
What are the key properties of 3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol?
3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol has a molecular weight of 185.23 g/mol, XLogP of -0.62, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol is sourced from PubChem (CID 170827509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).