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

C20H18N6OS — CID 134328520

IUPACN-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(-n3cccn3)s2)c1
InChIInChI=1S/C20H18N6OS/c1-13-3-4-14(19(27)24-16-5-6-16)9-17(13)15-10-23-26(12-15)18-11-21-20(28-18)25-8-2-7-22-25/h2-4,7-12,16H,5-6H2,1H3,(H,24,27)
InChIKeyIQTBZEDIUKVHPJ-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.38
Rot. Bonds5

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

N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide (PubChem CID 134328520) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
PubChem CID134328520
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC NameN-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(-n3cccn3)s2)c1
InChIInChI=1S/C20H18N6OS/c1-13-3-4-14(19(27)24-16-5-6-16)9-17(13)15-10-23-26(12-15)18-11-21-20(28-18)25-8-2-7-22-25/h2-4,7-12,16H,5-6H2,1H3,(H,24,27)
InChIKeyIQTBZEDIUKVHPJ-UHFFFAOYSA-N
XLogP3.38
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide (CID 134328520) is N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(-n3cccn3)s2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The InChIKey is IQTBZEDIUKVHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c1-13-3-4-14(19(27)24-16-5-6-16)9-17(13)15-10-23-26(12-15)18-11-21-20(28-18)25-8-2-7-22-25/h2-4,7-12,16H,5-6H2,1H3,(H,24,27).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide has a molecular weight of 390.47 g/mol, XLogP of 3.38, 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-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 134328520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).