N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide

C8H14N4O3 — CID 170829471

IUPACN-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cn[nH]c1N
InChIInChI=1S/C8H14N4O3/c1-4(13)10-3-6(14)7(15)5-2-11-12-8(5)9/h2,6-7,14-15H,3H2,1H3,(H,10,13)(H3,9,11,12)
InChIKeyWLAWYXLJIRSFDR-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.48
Rot. Bonds4

About N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide

N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170829471) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
PubChem CID170829471
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC NameN-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cn[nH]c1N
InChIInChI=1S/C8H14N4O3/c1-4(13)10-3-6(14)7(15)5-2-11-12-8(5)9/h2,6-7,14-15H,3H2,1H3,(H,10,13)(H3,9,11,12)
InChIKeyWLAWYXLJIRSFDR-UHFFFAOYSA-N
XLogP-1.48
TPSA124.26 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
CID 170829570
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide
CID 170830021
1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol
CID 171861448
N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide
CID 170831436
N-[3-(6-amino-2-methyl-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829714
3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid
CID 170823402
N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830135
N-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide
CID 170830236
N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
CID 170829458
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830125
N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170830782

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide (CID 170829471) is N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cn[nH]c1N.
What is the InChIKey of N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is WLAWYXLJIRSFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-4(13)10-3-6(14)7(15)5-2-11-12-8(5)9/h2,6-7,14-15H,3H2,1H3,(H,10,13)(H3,9,11,12).
What are the key properties of N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide?
N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 214.22 g/mol, XLogP of -1.48, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170829471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).