2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide

C21H22N4O — CID 51108578

IUPAC2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(C)c1)C(=O)CNc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H22N4O/c1-24(13-15-11-23-25(2)14-15)21(26)12-22-18-7-8-20-17(10-18)9-16-5-3-4-6-19(16)20/h3-8,10-11,14,22H,9,12-13H2,1-2H3
InChIKeyALQIEQMKEKFTDI-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.06
Rot. Bonds5

About 2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide

2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 51108578) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID51108578
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(C)c1)C(=O)CNc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H22N4O/c1-24(13-15-11-23-25(2)14-15)21(26)12-22-18-7-8-20-17(10-18)9-16-5-3-4-6-19(16)20/h3-8,10-11,14,22H,9,12-13H2,1-2H3
InChIKeyALQIEQMKEKFTDI-UHFFFAOYSA-N
XLogP3.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 51108578) is 2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide is CN(Cc1cnn(C)c1)C(=O)CNc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is ALQIEQMKEKFTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-24(13-15-11-23-25(2)14-15)21(26)12-22-18-7-8-20-17(10-18)9-16-5-3-4-6-19(16)20/h3-8,10-11,14,22H,9,12-13H2,1-2H3.
What are the key properties of 2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 51108578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).