3-amino-N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]propanamide

C9H13N5O2 — CID 110478927

IUPAC3-amino-N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]propanamide
SMILESN#Cc1cnn(CCO)c1NC(=O)CCN
InChIInChI=1S/C9H13N5O2/c10-2-1-8(16)13-9-7(5-11)6-12-14(9)3-4-15/h6,15H,1-4,10H2,(H,13,16)
InChIKeyQITVNYJDVJRRJZ-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.97
Rot. Bonds5

About 3-amino-N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]propanamide

3-amino-N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]propanamide (PubChem CID 110478927) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-amino-N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]propanamide
PubChem CID110478927
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name3-amino-N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]propanamide
SMILESN#Cc1cnn(CCO)c1NC(=O)CCN
InChIInChI=1S/C9H13N5O2/c10-2-1-8(16)13-9-7(5-11)6-12-14(9)3-4-15/h6,15H,1-4,10H2,(H,13,16)
InChIKeyQITVNYJDVJRRJZ-UHFFFAOYSA-N
XLogP-0.97
TPSA116.96 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 ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-(methylamino)acetamide
CID 110479041
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-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557634
N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide
CID 112723814
2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide
CID 110459440
N-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide
CID 108737029
N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide
CID 108760008
2-chloroethyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 108737063

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]propanamide?
The IUPAC name of 3-amino-N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]propanamide (CID 110478927) is 3-amino-N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]propanamide.
What is the SMILES notation for 3-amino-N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]propanamide?
The canonical SMILES for 3-amino-N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]propanamide is N#Cc1cnn(CCO)c1NC(=O)CCN.
What is the InChIKey of 3-amino-N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]propanamide?
The InChIKey is QITVNYJDVJRRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-2-1-8(16)13-9-7(5-11)6-12-14(9)3-4-15/h6,15H,1-4,10H2,(H,13,16).
What are the key properties of 3-amino-N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]propanamide?
3-amino-N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]propanamide has a molecular weight of 223.24 g/mol, XLogP of -0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]propanamide is sourced from PubChem (CID 110478927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).