N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide

C12H20N4O — CID 54866432

IUPACN-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NC(C)C2(C)CC2)cn1
InChIInChI=1S/C12H20N4O/c1-9(12(2)4-5-12)15-10-6-14-16(7-10)8-11(17)13-3/h6-7,9,15H,4-5,8H2,1-3H3,(H,13,17)
InChIKeyBRYOWYSOVLRJEG-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.23
Rot. Bonds5

About N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide

N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide (PubChem CID 54866432) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide
PubChem CID54866432
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NC(C)C2(C)CC2)cn1
InChIInChI=1S/C12H20N4O/c1-9(12(2)4-5-12)15-10-6-14-16(7-10)8-11(17)13-3/h6-7,9,15H,4-5,8H2,1-3H3,(H,13,17)
InChIKeyBRYOWYSOVLRJEG-UHFFFAOYSA-N
XLogP1.23
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide (CID 54866432) is N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide is CNC(=O)Cn1cc(NC(C)C2(C)CC2)cn1.
What is the InChIKey of N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide?
The InChIKey is BRYOWYSOVLRJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(12(2)4-5-12)15-10-6-14-16(7-10)8-11(17)13-3/h6-7,9,15H,4-5,8H2,1-3H3,(H,13,17).
What are the key properties of N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide?
N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide has a molecular weight of 236.32 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 54866432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).