3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide

C9H13N5O2 — CID 106170857

IUPAC3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide
SMILESCc1nn(C)c(NCC(O)C(N)=O)c1C#N
InChIInChI=1S/C9H13N5O2/c1-5-6(3-10)9(14(2)13-5)12-4-7(15)8(11)16/h7,12,15H,4H2,1-2H3,(H2,11,16)
InChIKeyQCFIAKZSTCQCGM-UHFFFAOYSA-N
MW223.24 g/mol
LogP-1.14
Rot. Bonds4

About 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide

3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide (PubChem CID 106170857) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide
PubChem CID106170857
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide
SMILESCc1nn(C)c(NCC(O)C(N)=O)c1C#N
InChIInChI=1S/C9H13N5O2/c1-5-6(3-10)9(14(2)13-5)12-4-7(15)8(11)16/h7,12,15H,4H2,1-2H3,(H2,11,16)
InChIKeyQCFIAKZSTCQCGM-UHFFFAOYSA-N
XLogP-1.14
TPSA116.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-amino-3-hydroxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 64540644
5-[(3-hydroxy-2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 65036129
2-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475011
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid
CID 63758168
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405568
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoic acid
CID 63756960
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide
CID 106096716
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
5-(4-hydroxybutylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 106842244
4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]butanoic acid
CID 63756962
ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate
CID 63758021
1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
CID 63758903

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide (CID 106170857) is 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide is Cc1nn(C)c(NCC(O)C(N)=O)c1C#N.
What is the InChIKey of 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide?
The InChIKey is QCFIAKZSTCQCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-5-6(3-10)9(14(2)13-5)12-4-7(15)8(11)16/h7,12,15H,4H2,1-2H3,(H2,11,16).
What are the key properties of 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide?
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide has a molecular weight of 223.24 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106170857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).