2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide

C12H22N4O — CID 54866489

IUPAC2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide
SMILESCCCCCCNc1cnn(CC(=O)NC)c1
InChIInChI=1S/C12H22N4O/c1-3-4-5-6-7-14-11-8-15-16(9-11)10-12(17)13-2/h8-9,14H,3-7,10H2,1-2H3,(H,13,17)
InChIKeyXXMGFALXAALJJX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.62
Rot. Bonds8

About 2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide

2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide (PubChem CID 54866489) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide
PubChem CID54866489
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide
SMILESCCCCCCNc1cnn(CC(=O)NC)c1
InChIInChI=1S/C12H22N4O/c1-3-4-5-6-7-14-11-8-15-16(9-11)10-12(17)13-2/h8-9,14H,3-7,10H2,1-2H3,(H,13,17)
InChIKeyXXMGFALXAALJJX-UHFFFAOYSA-N
XLogP1.62
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide
CID 60932429
2-[4-(butylamino)pyrazol-1-yl]acetamide
CID 43695314
tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate
CID 115606254
2-[4-(octylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115569282
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190
2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide
CID 81419518
N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide
CID 62760481
1-benzyl-N-octylpyrazol-4-amine
CID 63451849
1-benzyl-N-heptylpyrazol-4-amine
CID 63451804
2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide
CID 103087519
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171
N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide
CID 54866384

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide (CID 54866489) is 2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide is CCCCCCNc1cnn(CC(=O)NC)c1.
What is the InChIKey of 2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide?
The InChIKey is XXMGFALXAALJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-4-5-6-7-14-11-8-15-16(9-11)10-12(17)13-2/h8-9,14H,3-7,10H2,1-2H3,(H,13,17).
What are the key properties of 2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide?
2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide has a molecular weight of 238.33 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 54866489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).