2-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoylamino]anilino]acetamide

C15H18N6O2 — CID 22464196

IUPAC2-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoylamino]anilino]acetamide
SMILESNC(=O)CNc1cccc(NC(=O)Nc2cc(C3CC3)[nH]n2)c1
InChIInChI=1S/C15H18N6O2/c16-13(22)8-17-10-2-1-3-11(6-10)18-15(23)19-14-7-12(20-21-14)9-4-5-9/h1-3,6-7,9,17H,4-5,8H2,(H2,16,22)(H3,18,19,20,21,23)
InChIKeyBOLNEJRCANQOMA-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.83
Rot. Bonds6

About 2-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoylamino]anilino]acetamide

2-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoylamino]anilino]acetamide (PubChem CID 22464196) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoylamino]anilino]acetamide.

Molecular Properties

Compound Name2-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoylamino]anilino]acetamide
PubChem CID22464196
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name2-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoylamino]anilino]acetamide
SMILESNC(=O)CNc1cccc(NC(=O)Nc2cc(C3CC3)[nH]n2)c1
InChIInChI=1S/C15H18N6O2/c16-13(22)8-17-10-2-1-3-11(6-10)18-15(23)19-14-7-12(20-21-14)9-4-5-9/h1-3,6-7,9,17H,4-5,8H2,(H2,16,22)(H3,18,19,20,21,23)
InChIKeyBOLNEJRCANQOMA-UHFFFAOYSA-N
XLogP1.83
TPSA124.93 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-amino-7-[(dimethylamino)methyl]pyrrolo[2,1-f][1,2,4]triazine-5-carbonyl]phenyl]-3-(5-cyclopropyl-1H-pyrazol-3-yl)urea
CID 71196660
1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea
CID 154860497
2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176805
1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887192
N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 39154401
N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
CID 10176787
2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
CID 162513055
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide
CID 22176967
2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide
CID 22176786
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenoxyphenyl)acetamide
CID 22176647
2-(4-aminophenyl)-N-(5-cyclopentyl-1H-pyrazol-3-yl)acetamide
CID 18423577
1-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 118888845

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoylamino]anilino]acetamide?
The IUPAC name of 2-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoylamino]anilino]acetamide (CID 22464196) is 2-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoylamino]anilino]acetamide.
What is the SMILES notation for 2-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoylamino]anilino]acetamide?
The canonical SMILES for 2-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoylamino]anilino]acetamide is NC(=O)CNc1cccc(NC(=O)Nc2cc(C3CC3)[nH]n2)c1.
What is the InChIKey of 2-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoylamino]anilino]acetamide?
The InChIKey is BOLNEJRCANQOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c16-13(22)8-17-10-2-1-3-11(6-10)18-15(23)19-14-7-12(20-21-14)9-4-5-9/h1-3,6-7,9,17H,4-5,8H2,(H2,16,22)(H3,18,19,20,21,23).
What are the key properties of 2-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoylamino]anilino]acetamide?
2-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoylamino]anilino]acetamide has a molecular weight of 314.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoylamino]anilino]acetamide is sourced from PubChem (CID 22464196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).