(2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide

C17H24N4O — CID 119304754

IUPAC(2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide
SMILESCc1ccccc1-n1nc(C)c(CN(C)C(=O)[C@@H](C)N)c1C
InChIInChI=1S/C17H24N4O/c1-11-8-6-7-9-16(11)21-14(4)15(13(3)19-21)10-20(5)17(22)12(2)18/h6-9,12H,10,18H2,1-5H3/t12-/m1/s1
InChIKeyHGMWEFUNVYDUMI-GFCCVEGCSA-N
MW300.41 g/mol
LogP2.10
Rot. Bonds4

About (2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide

(2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide (PubChem CID 119304754) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide
PubChem CID119304754
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide
SMILESCc1ccccc1-n1nc(C)c(CN(C)C(=O)[C@@H](C)N)c1C
InChIInChI=1S/C17H24N4O/c1-11-8-6-7-9-16(11)21-14(4)15(13(3)19-21)10-20(5)17(22)12(2)18/h6-9,12H,10,18H2,1-5H3/t12-/m1/s1
InChIKeyHGMWEFUNVYDUMI-GFCCVEGCSA-N
XLogP2.10
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide?
The IUPAC name of (2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide (CID 119304754) is (2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide is Cc1ccccc1-n1nc(C)c(CN(C)C(=O)[C@@H](C)N)c1C.
What is the InChIKey of (2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide?
The InChIKey is HGMWEFUNVYDUMI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11-8-6-7-9-16(11)21-14(4)15(13(3)19-21)10-20(5)17(22)12(2)18/h6-9,12H,10,18H2,1-5H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide?
(2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide has a molecular weight of 300.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 119304754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).