(2R)-N-[3-[3-methoxypropyl-[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

C22H28N6O3 — CID 96535980

IUPAC(2R)-N-[3-[3-methoxypropyl-[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCOCCCN(C(=O)[C@H](C)n1cccn1)c1cccc(NC(=O)[C@@H](C)n2cccn2)c1
InChIInChI=1S/C22H28N6O3/c1-17(27-13-5-10-23-27)21(29)25-19-8-4-9-20(16-19)26(12-7-15-31-3)22(30)18(2)28-14-6-11-24-28/h4-6,8-11,13-14,16-18H,7,12,15H2,1-3H3,(H,25,29)/t17-,18+/m1/s1
InChIKeyAXZHKDIHPXHGAN-MSOLQXFVSA-N
MW424.51 g/mol
LogP2.91
Rot. Bonds10

About (2R)-N-[3-[3-methoxypropyl-[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

(2R)-N-[3-[3-methoxypropyl-[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 96535980) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is (2R)-N-[3-[3-methoxypropyl-[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[3-[3-methoxypropyl-[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID96535980
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC Name(2R)-N-[3-[3-methoxypropyl-[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCOCCCN(C(=O)[C@H](C)n1cccn1)c1cccc(NC(=O)[C@@H](C)n2cccn2)c1
InChIInChI=1S/C22H28N6O3/c1-17(27-13-5-10-23-27)21(29)25-19-8-4-9-20(16-19)26(12-7-15-31-3)22(30)18(2)28-14-6-11-24-28/h4-6,8-11,13-14,16-18H,7,12,15H2,1-3H3,(H,25,29)/t17-,18+/m1/s1
InChIKeyAXZHKDIHPXHGAN-MSOLQXFVSA-N
XLogP2.91
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-methoxypropyl(2-pyrazol-1-ylpropanoyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 71858221
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride
CID 119717862
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427767
4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide
CID 78867824
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
methyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate
CID 71863309
3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427808
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[3-methoxypropyl-[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[3-[3-methoxypropyl-[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (CID 96535980) is (2R)-N-[3-[3-methoxypropyl-[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[3-[3-methoxypropyl-[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[3-[3-methoxypropyl-[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is COCCCN(C(=O)[C@H](C)n1cccn1)c1cccc(NC(=O)[C@@H](C)n2cccn2)c1.
What is the InChIKey of (2R)-N-[3-[3-methoxypropyl-[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is AXZHKDIHPXHGAN-MSOLQXFVSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-17(27-13-5-10-23-27)21(29)25-19-8-4-9-20(16-19)26(12-7-15-31-3)22(30)18(2)28-14-6-11-24-28/h4-6,8-11,13-14,16-18H,7,12,15H2,1-3H3,(H,25,29)/t17-,18+/m1/s1.
What are the key properties of (2R)-N-[3-[3-methoxypropyl-[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
(2R)-N-[3-[3-methoxypropyl-[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 424.51 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[3-methoxypropyl-[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 96535980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).