2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide

C9H13N5O — CID 63253370

IUPAC2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)Cn1cc(CN)cn1
InChIInChI=1S/C9H13N5O/c10-2-1-3-12-9(15)7-14-6-8(4-11)5-13-14/h5-6H,1,3-4,7,11H2,(H,12,15)
InChIKeyIWMMKKWECGRDFX-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.63
Rot. Bonds5

About 2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide

2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide (PubChem CID 63253370) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide
PubChem CID63253370
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)Cn1cc(CN)cn1
InChIInChI=1S/C9H13N5O/c10-2-1-3-12-9(15)7-14-6-8(4-11)5-13-14/h5-6H,1,3-4,7,11H2,(H,12,15)
InChIKeyIWMMKKWECGRDFX-UHFFFAOYSA-N
XLogP-0.63
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide
CID 165473943
2-[4-(aminomethyl)pyrazol-1-yl]-N-benzylacetamide
CID 63253915
N-(2-cyanoethyl)-2-[4-(hydroxymethyl)imidazol-1-yl]acetamide
CID 106717415
2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide
CID 102915421
ethyl 4-amino-1-[2-(2-cyanoethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344908
ethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate
CID 122240626
N-(2-cyanoethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 116626783
2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide
CID 55168361
2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43445471
N-(2-cyanoethyl)-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
CID 47138375
N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 115580749
(1-but-3-ynylpyrazol-4-yl)methanamine
CID 63644007

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide (CID 63253370) is 2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide is N#CCCNC(=O)Cn1cc(CN)cn1.
What is the InChIKey of 2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide?
The InChIKey is IWMMKKWECGRDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c10-2-1-3-12-9(15)7-14-6-8(4-11)5-13-14/h5-6H,1,3-4,7,11H2,(H,12,15).
What are the key properties of 2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide?
2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide has a molecular weight of 207.24 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 63253370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).