2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide

C9H17N5O3S — CID 114174718

IUPAC2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide
SMILESCS(=O)(=O)NCCCNC(=O)Cn1cc(N)cn1
InChIInChI=1S/C9H17N5O3S/c1-18(16,17)13-4-2-3-11-9(15)7-14-6-8(10)5-12-14/h5-6,13H,2-4,7,10H2,1H3,(H,11,15)
InChIKeyBBTXHYWYMQNNJV-UHFFFAOYSA-N
MW275.33 g/mol
LogP-1.48
Rot. Bonds7

About 2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide

2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide (PubChem CID 114174718) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide
PubChem CID114174718
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide
SMILESCS(=O)(=O)NCCCNC(=O)Cn1cc(N)cn1
InChIInChI=1S/C9H17N5O3S/c1-18(16,17)13-4-2-3-11-9(15)7-14-6-8(10)5-12-14/h5-6,13H,2-4,7,10H2,1H3,(H,11,15)
InChIKeyBBTXHYWYMQNNJV-UHFFFAOYSA-N
XLogP-1.48
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide
CID 61139822
tert-butyl N-[3-[[2-(4-aminopyrazol-1-yl)acetyl]amino]propyl]carbamate
CID 114517811
2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43445471
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-methylsulfonylacetamide
CID 115319573
3-[[2-(4-aminopyrazol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 61102926
2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate
CID 83201957
2-(4-aminopyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 43185729
2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide
CID 114097514
2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide
CID 63822540
2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 114162948
3-(4-aminophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide
CID 106332599
2-methylsulfonylethyl 2-(4-aminopyrazol-1-yl)acetate
CID 61315217

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide (CID 114174718) is 2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide is CS(=O)(=O)NCCCNC(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide?
The InChIKey is BBTXHYWYMQNNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-18(16,17)13-4-2-3-11-9(15)7-14-6-8(10)5-12-14/h5-6,13H,2-4,7,10H2,1H3,(H,11,15).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide?
2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide has a molecular weight of 275.33 g/mol, XLogP of -1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide is sourced from PubChem (CID 114174718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).