(2S,4R)-4-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide

C14H25N5O — CID 56709160

IUPAC(2S,4R)-4-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1n[nH]c(C)c1CN1C[C@H](N)C[C@H]1C(=O)NC(C)C
InChIInChI=1S/C14H25N5O/c1-8(2)16-14(20)13-5-11(15)6-19(13)7-12-9(3)17-18-10(12)4/h8,11,13H,5-7,15H2,1-4H3,(H,16,20)(H,17,18)/t11-,13+/m1/s1
InChIKeyIUPSRAWRGYNXJE-YPMHNXCESA-N
MW279.39 g/mol
LogP0.45
Rot. Bonds4

About (2S,4R)-4-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56709160) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56709160
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name(2S,4R)-4-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1n[nH]c(C)c1CN1C[C@H](N)C[C@H]1C(=O)NC(C)C
InChIInChI=1S/C14H25N5O/c1-8(2)16-14(20)13-5-11(15)6-19(13)7-12-9(3)17-18-10(12)4/h8,11,13H,5-7,15H2,1-4H3,(H,16,20)(H,17,18)/t11-,13+/m1/s1
InChIKeyIUPSRAWRGYNXJE-YPMHNXCESA-N
XLogP0.45
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide 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 (2S,4R)-4-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56709160) is (2S,4R)-4-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide is Cc1n[nH]c(C)c1CN1C[C@H](N)C[C@H]1C(=O)NC(C)C.
What is the InChIKey of (2S,4R)-4-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is IUPSRAWRGYNXJE-YPMHNXCESA-N. The full InChI is InChI=1S/C14H25N5O/c1-8(2)16-14(20)13-5-11(15)6-19(13)7-12-9(3)17-18-10(12)4/h8,11,13H,5-7,15H2,1-4H3,(H,16,20)(H,17,18)/t11-,13+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56709160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).