N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide

C9H13N5O2 — CID 110479041

IUPACN-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1c(C#N)cnn1CCO
InChIInChI=1S/C9H13N5O2/c1-11-6-8(16)13-9-7(4-10)5-12-14(9)2-3-15/h5,11,15H,2-3,6H2,1H3,(H,13,16)
InChIKeyKMWXDUYUGFBWPA-UHFFFAOYSA-N
MW223.24 g/mol
LogP-1.10
Rot. Bonds5

About N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide

N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide (PubChem CID 110479041) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide
PubChem CID110479041
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC NameN-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1c(C#N)cnn1CCO
InChIInChI=1S/C9H13N5O2/c1-11-6-8(16)13-9-7(4-10)5-12-14(9)2-3-15/h5,11,15H,2-3,6H2,1H3,(H,13,16)
InChIKeyKMWXDUYUGFBWPA-UHFFFAOYSA-N
XLogP-1.10
TPSA102.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]propanamide
CID 110478927
4-[[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-4-oxobutanoic acid
CID 110481763
N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
CID 110483284
N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide
CID 110482169
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552207
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide
CID 110479037
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557634
2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide
CID 108759901
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530683
N-(3-cyano-2-pyridinyl)-2-(methylamino)acetamide
CID 110470457

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide (CID 110479041) is N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide is CNCC(=O)Nc1c(C#N)cnn1CCO.
What is the InChIKey of N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide?
The InChIKey is KMWXDUYUGFBWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-11-6-8(16)13-9-7(4-10)5-12-14(9)2-3-15/h5,11,15H,2-3,6H2,1H3,(H,13,16).
What are the key properties of N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide?
N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide has a molecular weight of 223.24 g/mol, XLogP of -1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 110479041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).