2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide

C14H15N5O — CID 61105027

IUPAC2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C14H15N5O/c1-18(8-12-4-2-11(6-15)3-5-12)14(20)10-19-9-13(16)7-17-19/h2-5,7,9H,8,10,16H2,1H3
InChIKeyISNSOQBAENLSFO-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.00
Rot. Bonds4

About 2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide

2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide (PubChem CID 61105027) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
PubChem CID61105027
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C14H15N5O/c1-18(8-12-4-2-11(6-15)3-5-12)14(20)10-19-9-13(16)7-17-19/h2-5,7,9H,8,10,16H2,1H3
InChIKeyISNSOQBAENLSFO-UHFFFAOYSA-N
XLogP1.00
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide (CID 61105027) is 2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(C#N)cc1)C(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide?
The InChIKey is ISNSOQBAENLSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-18(8-12-4-2-11(6-15)3-5-12)14(20)10-19-9-13(16)7-17-19/h2-5,7,9H,8,10,16H2,1H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide?
2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide has a molecular weight of 269.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 61105027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).