3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide

C19H27N5O2 — CID 126447514

IUPAC3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide
SMILESC[C@@H](CCNC(=O)c1cccc(-c2cnn(C)c2N)c1)N1CCOCC1
InChIInChI=1S/C19H27N5O2/c1-14(24-8-10-26-11-9-24)6-7-21-19(25)16-5-3-4-15(12-16)17-13-22-23(2)18(17)20/h3-5,12-14H,6-11,20H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyDVJXLDRUCKYDHL-AWEZNQCLSA-N
MW357.46 g/mol
LogP1.51
Rot. Bonds6

About 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide

3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide (PubChem CID 126447514) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide.

Molecular Properties

Compound Name3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide
PubChem CID126447514
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide
SMILESC[C@@H](CCNC(=O)c1cccc(-c2cnn(C)c2N)c1)N1CCOCC1
InChIInChI=1S/C19H27N5O2/c1-14(24-8-10-26-11-9-24)6-7-21-19(25)16-5-3-4-15(12-16)17-13-22-23(2)18(17)20/h3-5,12-14H,6-11,20H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyDVJXLDRUCKYDHL-AWEZNQCLSA-N
XLogP1.51
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide 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

3-(1-methyl-6-oxopyridazin-3-yl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide
CID 125440311
3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide
CID 126443395
3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide
CID 125176405
N-(3-morpholin-4-ylbutyl)pyridazine-4-carboxamide
CID 91307914
3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
CID 126428125
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide
CID 126475128
4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide
CID 121498729
3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118781591
4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319243
3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118779645
3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide
CID 125169993

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide?
The IUPAC name of 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide (CID 126447514) is 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide.
What is the SMILES notation for 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide?
The canonical SMILES for 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide is C[C@@H](CCNC(=O)c1cccc(-c2cnn(C)c2N)c1)N1CCOCC1.
What is the InChIKey of 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide?
The InChIKey is DVJXLDRUCKYDHL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14(24-8-10-26-11-9-24)6-7-21-19(25)16-5-3-4-15(12-16)17-13-22-23(2)18(17)20/h3-5,12-14H,6-11,20H2,1-2H3,(H,21,25)/t14-/m0/s1.
What are the key properties of 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide?
3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide has a molecular weight of 357.46 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide is sourced from PubChem (CID 126447514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).