(2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide

C17H24N4O2 — CID 164608877

IUPAC(2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide
SMILESCOc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cnn(C)c1
InChIInChI=1S/C17H24N4O2/c1-11(2)7-15(18)17(22)20-13-5-6-14(16(8-13)23-4)12-9-19-21(3)10-12/h5-6,8-11,15H,7,18H2,1-4H3,(H,20,22)/t15-/m1/s1
InChIKeyDKZMGSCGXFVRKH-OAHLLOKOSA-N
MW316.41 g/mol
LogP2.41
Rot. Bonds6

About (2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide

(2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide (PubChem CID 164608877) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide
PubChem CID164608877
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide
SMILESCOc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cnn(C)c1
InChIInChI=1S/C17H24N4O2/c1-11(2)7-15(18)17(22)20-13-5-6-14(16(8-13)23-4)12-9-19-21(3)10-12/h5-6,8-11,15H,7,18H2,1-4H3,(H,20,22)/t15-/m1/s1
InChIKeyDKZMGSCGXFVRKH-OAHLLOKOSA-N
XLogP2.41
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide (CID 164608877) is (2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide is COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cnn(C)c1.
What is the InChIKey of (2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide?
The InChIKey is DKZMGSCGXFVRKH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11(2)7-15(18)17(22)20-13-5-6-14(16(8-13)23-4)12-9-19-21(3)10-12/h5-6,8-11,15H,7,18H2,1-4H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide?
(2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide has a molecular weight of 316.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 164608877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).