N-cyclopropyl-4-methyl-3-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide

C21H23N5O2S — CID 134328549

IUPACN-cyclopropyl-4-methyl-3-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(N3CCOCC3)s2)c1
InChIInChI=1S/C21H23N5O2S/c1-14-2-3-15(20(27)24-17-4-5-17)10-18(14)16-11-23-26(13-16)19-12-22-21(29-19)25-6-8-28-9-7-25/h2-3,10-13,17H,4-9H2,1H3,(H,24,27)
InChIKeyODEUCTMBTLLYKB-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.03
Rot. Bonds5

About N-cyclopropyl-4-methyl-3-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide (PubChem CID 134328549) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
PubChem CID134328549
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC NameN-cyclopropyl-4-methyl-3-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(N3CCOCC3)s2)c1
InChIInChI=1S/C21H23N5O2S/c1-14-2-3-15(20(27)24-17-4-5-17)10-18(14)16-11-23-26(13-16)19-12-22-21(29-19)25-6-8-28-9-7-25/h2-3,10-13,17H,4-9H2,1H3,(H,24,27)
InChIKeyODEUCTMBTLLYKB-UHFFFAOYSA-N
XLogP3.03
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-4-methyl-3-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide 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 N-cyclopropyl-4-methyl-3-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide (CID 134328549) is N-cyclopropyl-4-methyl-3-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(N3CCOCC3)s2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The InChIKey is ODEUCTMBTLLYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-14-2-3-15(20(27)24-17-4-5-17)10-18(14)16-11-23-26(13-16)19-12-22-21(29-19)25-6-8-28-9-7-25/h2-3,10-13,17H,4-9H2,1H3,(H,24,27).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide has a molecular weight of 409.52 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 134328549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).