2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

C16H17N5O — CID 71922145

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCc1cc(CC(=O)Nc2cccc(Cn3cccn3)c2)n[nH]1
InChIInChI=1S/C16H17N5O/c1-12-8-15(20-19-12)10-16(22)18-14-5-2-4-13(9-14)11-21-7-3-6-17-21/h2-9H,10-11H2,1H3,(H,18,22)(H,19,20)
InChIKeyNNRWECBLCRMZNF-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.14
Rot. Bonds5

About 2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 71922145) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID71922145
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCc1cc(CC(=O)Nc2cccc(Cn3cccn3)c2)n[nH]1
InChIInChI=1S/C16H17N5O/c1-12-8-15(20-19-12)10-16(22)18-14-5-2-4-13(9-14)11-21-7-3-6-17-21/h2-9H,10-11H2,1H3,(H,18,22)(H,19,20)
InChIKeyNNRWECBLCRMZNF-UHFFFAOYSA-N
XLogP2.14
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46423982
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
N-(3-fluorophenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 110862703
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79272205
2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39694973
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 19519463
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 126421257
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46424002
2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 55760523
2-methyl-2-(methylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 62836036

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 71922145) is 2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is Cc1cc(CC(=O)Nc2cccc(Cn3cccn3)c2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is NNRWECBLCRMZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-12-8-15(20-19-12)10-16(22)18-14-5-2-4-13(9-14)11-21-7-3-6-17-21/h2-9H,10-11H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 295.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 71922145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).