4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide

C9H15N3O3 — CID 171898617

IUPAC4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide
SMILESCc1n[nH]c(C)c1C(O)C(O)CC(N)=O
InChIInChI=1S/C9H15N3O3/c1-4-8(5(2)12-11-4)9(15)6(13)3-7(10)14/h6,9,13,15H,3H2,1-2H3,(H2,10,14)(H,11,12)
InChIKeyRVIDQKKUMOUCTF-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.70
Rot. Bonds4

About 4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide

4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide (PubChem CID 171898617) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide
PubChem CID171898617
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide
SMILESCc1n[nH]c(C)c1C(O)C(O)CC(N)=O
InChIInChI=1S/C9H15N3O3/c1-4-8(5(2)12-11-4)9(15)6(13)3-7(10)14/h6,9,13,15H,3H2,1-2H3,(H2,10,14)(H,11,12)
InChIKeyRVIDQKKUMOUCTF-UHFFFAOYSA-N
XLogP-0.70
TPSA112.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol
CID 170827509
3-chloro-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol
CID 171861478
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 51467588
3-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide
CID 91196330
(2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid
CID 114004747
2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
CID 75655752
3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylpropanamide
CID 174504188
3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide
CID 171898628
4-(2-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898907
4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171899146
4-(4-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899224
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid
CID 64975118

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide (CID 171898617) is 4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide is Cc1n[nH]c(C)c1C(O)C(O)CC(N)=O.
What is the InChIKey of 4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide?
The InChIKey is RVIDQKKUMOUCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-4-8(5(2)12-11-4)9(15)6(13)3-7(10)14/h6,9,13,15H,3H2,1-2H3,(H2,10,14)(H,11,12).
What are the key properties of 4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide?
4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide has a molecular weight of 213.24 g/mol, XLogP of -0.70, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171898617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).