2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide

C10H14N4O — CID 115290756

IUPAC2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide
SMILESC#CCCNC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C10H14N4O/c1-3-4-5-12-10(15)9(11)8-6-13-14(2)7-8/h1,6-7,9H,4-5,11H2,2H3,(H,12,15)
InChIKeyMQBCXAFDKIQKFJ-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.44
Rot. Bonds4

About 2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115290756) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115290756
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide
SMILESC#CCCNC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C10H14N4O/c1-3-4-5-12-10(15)9(11)8-6-13-14(2)7-8/h1,6-7,9H,4-5,11H2,2H3,(H,12,15)
InChIKeyMQBCXAFDKIQKFJ-UHFFFAOYSA-N
XLogP-0.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)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

N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide
CID 114162023
2-amino-2-(1-methylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761168
2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289645
6-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]hexanoic acid
CID 115290306
2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290422
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 106047403
2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106286706
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290396
2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 113279783

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide (CID 115290756) is 2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide is C#CCCNC(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is MQBCXAFDKIQKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-3-4-5-12-10(15)9(11)8-6-13-14(2)7-8/h1,6-7,9H,4-5,11H2,2H3,(H,12,15).
What are the key properties of 2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 206.25 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115290756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).