(2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide

C13H21N5O — CID 95611983

IUPAC(2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
SMILESC[C@H](Cn1cccn1)N[C@H](C)C(=O)N(C)CCC#N
InChIInChI=1S/C13H21N5O/c1-11(10-18-9-5-7-15-18)16-12(2)13(19)17(3)8-4-6-14/h5,7,9,11-12,16H,4,8,10H2,1-3H3/t11-,12-/m1/s1
InChIKeyHGDZWQMSEYTFTP-VXGBXAGGSA-N
MW263.34 g/mol
LogP0.62
Rot. Bonds7

About (2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide

(2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide (PubChem CID 95611983) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
PubChem CID95611983
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
SMILESC[C@H](Cn1cccn1)N[C@H](C)C(=O)N(C)CCC#N
InChIInChI=1S/C13H21N5O/c1-11(10-18-9-5-7-15-18)16-12(2)13(19)17(3)8-4-6-14/h5,7,9,11-12,16H,4,8,10H2,1-3H3/t11-,12-/m1/s1
InChIKeyHGDZWQMSEYTFTP-VXGBXAGGSA-N
XLogP0.62
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide 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)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide?
The IUPAC name of (2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide (CID 95611983) is (2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide.
What is the SMILES notation for (2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide?
The canonical SMILES for (2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide is C[C@H](Cn1cccn1)N[C@H](C)C(=O)N(C)CCC#N.
What is the InChIKey of (2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide?
The InChIKey is HGDZWQMSEYTFTP-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21N5O/c1-11(10-18-9-5-7-15-18)16-12(2)13(19)17(3)8-4-6-14/h5,7,9,11-12,16H,4,8,10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide?
(2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide has a molecular weight of 263.34 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide is sourced from PubChem (CID 95611983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).