2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide

C10H14N4O — CID 116642593

IUPAC2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)Cn1ccc(N)n1
InChIInChI=1S/C10H14N4O/c1-2-3-4-6-12-10(15)8-14-7-5-9(11)13-14/h5,7H,4,6,8H2,1H3,(H2,11,13)(H,12,15)
InChIKeyAVGUHDYQRZXQIH-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.01
Rot. Bonds4

About 2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide

2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide (PubChem CID 116642593) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide
PubChem CID116642593
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)Cn1ccc(N)n1
InChIInChI=1S/C10H14N4O/c1-2-3-4-6-12-10(15)8-14-7-5-9(11)13-14/h5,7H,4,6,8H2,1H3,(H2,11,13)(H,12,15)
InChIKeyAVGUHDYQRZXQIH-UHFFFAOYSA-N
XLogP-0.01
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 ≤ 5-0.01
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'}

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Related Compounds

N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide
CID 62101709
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
2-(3-aminopyrazol-1-yl)-N-(3-phenylbutyl)acetamide
CID 62986610
2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
CID 62604621
2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 63824758
2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64518365
2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 62522791
2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide
CID 62101706
2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide
CID 60783220
2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64519510
2-(3-aminopyrazol-1-yl)-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
CID 55258861
2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide
CID 83176621

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide (CID 116642593) is 2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide is CC#CCCNC(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide?
The InChIKey is AVGUHDYQRZXQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-3-4-6-12-10(15)8-14-7-5-9(11)13-14/h5,7H,4,6,8H2,1H3,(H2,11,13)(H,12,15).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide?
2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide has a molecular weight of 206.25 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide is sourced from PubChem (CID 116642593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).