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

C16H20N4O — CID 79968644

IUPAC2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NCc2ccc(C3CC3)cc2)cn1
InChIInChI=1S/C16H20N4O/c1-17-16(21)11-20-10-15(9-19-20)18-8-12-2-4-13(5-3-12)14-6-7-14/h2-5,9-10,14,18H,6-8,11H2,1H3,(H,17,21)
InChIKeyVTFKUMUUAHWBQR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.12
Rot. Bonds6

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

2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide (PubChem CID 79968644) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
PubChem CID79968644
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NCc2ccc(C3CC3)cc2)cn1
InChIInChI=1S/C16H20N4O/c1-17-16(21)11-20-10-15(9-19-20)18-8-12-2-4-13(5-3-12)14-6-7-14/h2-5,9-10,14,18H,6-8,11H2,1H3,(H,17,21)
InChIKeyVTFKUMUUAHWBQR-UHFFFAOYSA-N
XLogP2.12
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide (CID 79968644) is 2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(NCc2ccc(C3CC3)cc2)cn1.
What is the InChIKey of 2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is VTFKUMUUAHWBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-17-16(21)11-20-10-15(9-19-20)18-8-12-2-4-13(5-3-12)14-6-7-14/h2-5,9-10,14,18H,6-8,11H2,1H3,(H,17,21).
What are the key properties of 2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide?
2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 284.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 79968644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).