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

C9H12N4O3 — CID 170829570

IUPACN-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cn[nH]c1C#N
InChIInChI=1S/C9H12N4O3/c1-5(14)11-4-8(15)9(16)6-3-12-13-7(6)2-10/h3,8-9,15-16H,4H2,1H3,(H,11,14)(H,12,13)
InChIKeyMUTIRKOBMQBCRC-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.19
Rot. Bonds4

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

N-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170829570) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
PubChem CID170829570
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cn[nH]c1C#N
InChIInChI=1S/C9H12N4O3/c1-5(14)11-4-8(15)9(16)6-3-12-13-7(6)2-10/h3,8-9,15-16H,4H2,1H3,(H,11,14)(H,12,13)
InChIKeyMUTIRKOBMQBCRC-UHFFFAOYSA-N
XLogP-1.19
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
CID 170829471
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide
CID 170830021
tert-butyl N-[4-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydroxybutyl]carbamate
CID 171884353
N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide
CID 170831436
N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830081
N-[3-(2-chloro-4-cyanophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830078
benzyl N-[4-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydroxybutyl]carbamate
CID 171887937
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-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829540
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
N-[3-(3-cyano-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830168

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide (CID 170829570) is N-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cn[nH]c1C#N.
What is the InChIKey of N-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is MUTIRKOBMQBCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-5(14)11-4-8(15)9(16)6-3-12-13-7(6)2-10/h3,8-9,15-16H,4H2,1H3,(H,11,14)(H,12,13).
What are the key properties of N-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide?
N-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 224.22 g/mol, XLogP of -1.19, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170829570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).