N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide

C17H21N5O2 — CID 51088181

IUPACN-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide
SMILESCC(C)COC(C)C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1
InChIInChI=1S/C17H21N5O2/c1-11(2)10-24-12(3)17(23)21-14-4-6-15(7-5-14)22-16(19)13(8-18)9-20-22/h4-7,9,11-12H,10,19H2,1-3H3,(H,21,23)
InChIKeyMBZKTNZQJAZPSU-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.33
Rot. Bonds6

About N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide

N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide (PubChem CID 51088181) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide
PubChem CID51088181
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide
SMILESCC(C)COC(C)C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1
InChIInChI=1S/C17H21N5O2/c1-11(2)10-24-12(3)17(23)21-14-4-6-15(7-5-14)22-16(19)13(8-18)9-20-22/h4-7,9,11-12H,10,19H2,1-3H3,(H,21,23)
InChIKeyMBZKTNZQJAZPSU-UHFFFAOYSA-N
XLogP2.33
TPSA105.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide
CID 94667597
propan-2-yl 4-(5-amino-4-cyanopyrazol-1-yl)benzoate
CID 75416841
4-(5-amino-4-cyanopyrazol-1-yl)benzoic acid
CID 2451195
N-[3-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]prop-2-enyl]acetamide
CID 169466440
(2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95286089
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 3-(5-amino-4-cyanopyrazol-1-yl)benzoate
CID 95636339
methyl 3-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]prop-2-enoate
CID 169479734
4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide
CID 95146500
5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 2763873
(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide
CID 94805971
ethyl 3-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]prop-2-enoate
CID 169481120
[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(5-amino-4-cyanopyrazol-1-yl)benzoate
CID 56795462

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide?
The IUPAC name of N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide (CID 51088181) is N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide is CC(C)COC(C)C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1.
What is the InChIKey of N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide?
The InChIKey is MBZKTNZQJAZPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11(2)10-24-12(3)17(23)21-14-4-6-15(7-5-14)22-16(19)13(8-18)9-20-22/h4-7,9,11-12H,10,19H2,1-3H3,(H,21,23).
What are the key properties of N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide?
N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide has a molecular weight of 327.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide is sourced from PubChem (CID 51088181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).