N-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide

C10H18N4O — CID 79779696

IUPACN-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide
SMILESCCCCNC(=O)CNc1ccn(C)n1
InChIInChI=1S/C10H18N4O/c1-3-4-6-11-10(15)8-12-9-5-7-14(2)13-9/h5,7H,3-4,6,8H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyRCWYPSXRLLWALC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.75
Rot. Bonds6

About N-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide

N-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide (PubChem CID 79779696) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide
PubChem CID79779696
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide
SMILESCCCCNC(=O)CNc1ccn(C)n1
InChIInChI=1S/C10H18N4O/c1-3-4-6-11-10(15)8-12-9-5-7-14(2)13-9/h5,7H,3-4,6,8H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyRCWYPSXRLLWALC-UHFFFAOYSA-N
XLogP0.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.75
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

2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide
CID 79778666
N-butan-2-yl-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779691
N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779586
methyl 4-[(1-methylpyrazol-3-yl)amino]butanoate
CID 79778979
ethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate
CID 103256828
N-butyl-2-(2,6-dimethylanilino)acetamide
CID 54818393
2-(4-bromoanilino)-N-butylacetamide
CID 39385109
2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide
CID 112723457
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-pentylacetamide
CID 109006112
N-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]propanamide
CID 79778658
N-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide
CID 22301237
2-methyl-4-[(1-methylpyrazol-3-yl)amino]butan-2-ol
CID 79779568

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide?
The IUPAC name of N-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide (CID 79779696) is N-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide.
What is the SMILES notation for N-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide?
The canonical SMILES for N-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide is CCCCNC(=O)CNc1ccn(C)n1.
What is the InChIKey of N-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide?
The InChIKey is RCWYPSXRLLWALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-4-6-11-10(15)8-12-9-5-7-14(2)13-9/h5,7H,3-4,6,8H2,1-2H3,(H,11,15)(H,12,13).
What are the key properties of N-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide?
N-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide has a molecular weight of 210.28 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide is sourced from PubChem (CID 79779696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).